AE25243
1031927-09-9 | (R,S)-3-Boc-amino-9-boc-1,2,3,4-tetrahydro-carbazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE25243
ChemicalName
(R,S)-3-Boc-amino-9-boc-1,2,3,4-tetrahydro-carbazole-3-carboxylic acid
CasNumber
1031927-09-9
MolecularFormula
C23H30N2O6
MolecularWeight
430.4941
MdlNumber
MFCD09264203
Smiles
O=C(NC1(CCc2c(C1)c1ccccc1n2C(=O)OC(C)(C)C)C(=O)O)OC(C)(C)C
Complexity
725
Covalently-bondedUnitCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
4.1
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CatalogNumber: AE25243
ChemicalName: (R,S)-3-Boc-amino-9-boc-1,2,3,4-tetrahydro-carbazole-3-carboxylic acid
CasNumber: 1031927-09-9
MolecularFormula: C23H30N2O6
MolecularWeight: 430.4941
MdlNumber: MFCD09264203
Smiles: O=C(NC1(CCc2c(C1)c1ccccc1n2C(=O)OC(C)(C)C)C(=O)O)OC(C)(C)C
Complexity: 725
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.1
CatalogNumber:
AE25243
ChemicalName:
(R,S)-3-Boc-amino-9-boc-1,2,3,4-tetrahydro-carbazole-3-carboxylic acid
CasNumber:
1031927-09-9
MolecularFormula:
C23H30N2O6
MolecularWeight:
430.4941
MdlNumber:
MFCD09264203
Smiles:
O=C(NC1(CCc2c(C1)c1ccccc1n2C(=O)OC(C)(C)C)C(=O)O)OC(C)(C)C
Complexity:
725
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.1
CatalogNumber: AE25244
ChemicalName: 5-BOC-Amino-2-chlorophenylboronic acid pinacol ester
CasNumber: 1080573-28-9
MolecularFormula: C17H25BClNO4
MolecularWeight: 353.6487
MdlNumber: MFCD23379564
Smiles: O=C(OC(C)(C)C)Nc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl
Complexity: 462
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AE25244
ChemicalName:
5-BOC-Amino-2-chlorophenylboronic acid pinacol ester
CasNumber:
1080573-28-9
MolecularFormula:
C17H25BClNO4
MolecularWeight:
353.6487
MdlNumber:
MFCD23379564
Smiles:
O=C(OC(C)(C)C)Nc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl
Complexity:
462
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AE25245
ChemicalName: 5-(2,4-Difluorophenyl)-2-hydroxypyrimidine
CasNumber: 1111107-95-9
MolecularFormula: C10H6F2N2O
MolecularWeight: 208.1642
MdlNumber: MFCD11876802
Smiles: Fc1ccc(c(c1)F)c1cnc(nc1)O
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
AE25245
ChemicalName:
5-(2,4-Difluorophenyl)-2-hydroxypyrimidine
CasNumber:
1111107-95-9
MolecularFormula:
C10H6F2N2O
MolecularWeight:
208.1642
MdlNumber:
MFCD11876802
Smiles:
Fc1ccc(c(c1)F)c1cnc(nc1)O
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1
CatalogNumber: AE25246
ChemicalName: 1-(Ethanesulfonyl)-2-fluoro-4-nitrobenzene
CasNumber: 1190603-08-7
MolecularFormula: C8H8FNO4S
MolecularWeight: 233.2168
MdlNumber: MFCD23135931
Smiles: CCS(=O)(=O)c1ccc(cc1F)[N+](=O)[O-]
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AE25246
ChemicalName:
1-(Ethanesulfonyl)-2-fluoro-4-nitrobenzene
CasNumber:
1190603-08-7
MolecularFormula:
C8H8FNO4S
MolecularWeight:
233.2168
MdlNumber:
MFCD23135931
Smiles:
CCS(=O)(=O)c1ccc(cc1F)[N+](=O)[O-]
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7