AB49912
221352-46-1 | (R,S)-Boc-1,3-dihydro-2h-isoindole carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49912
ChemicalName
(R,S)-Boc-1,3-dihydro-2h-isoindole carboxylic acid
CasNumber
221352-46-1
MolecularFormula
C14H17NO4
MolecularWeight
263.2891
MdlNumber
MFCD01321007
Smiles
OC(=O)C1N(Cc2c1cccc2)C(=O)OC(C)(C)C
Complexity
374
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2
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CatalogNumber: AB49912
ChemicalName: (R,S)-Boc-1,3-dihydro-2h-isoindole carboxylic acid
CasNumber: 221352-46-1
MolecularFormula: C14H17NO4
MolecularWeight: 263.2891
MdlNumber: MFCD01321007
Smiles: OC(=O)C1N(Cc2c1cccc2)C(=O)OC(C)(C)C
Complexity: 374
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2
CatalogNumber:
AB49912
ChemicalName:
(R,S)-Boc-1,3-dihydro-2h-isoindole carboxylic acid
CasNumber:
221352-46-1
MolecularFormula:
C14H17NO4
MolecularWeight:
263.2891
MdlNumber:
MFCD01321007
Smiles:
OC(=O)C1N(Cc2c1cccc2)C(=O)OC(C)(C)C
Complexity:
374
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=C1C=CC=C1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(=C1C=CC=C1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB49914
ChemicalName: 5-Chloro-1H-1,2,4-triazole-3-carboxylic acid
CasNumber: 21733-03-9
MolecularFormula: C3H2ClN3O2
MolecularWeight: 147.5199
MdlNumber: MFCD11040183
Smiles: OC(=O)c1nnc([nH]1)Cl
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
AB49914
ChemicalName:
5-Chloro-1H-1,2,4-triazole-3-carboxylic acid
CasNumber:
21733-03-9
MolecularFormula:
C3H2ClN3O2
MolecularWeight:
147.5199
MdlNumber:
MFCD11040183
Smiles:
OC(=O)c1nnc([nH]1)Cl
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCO[Si](C(C)C)(C(C)C)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCO[Si](C(C)C)(C(C)C)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__