AB49897
222530-34-9 | (1S,3R)-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49897
ChemicalName
(1S,3R)-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid
CasNumber
222530-34-9
MolecularFormula
C12H21NO4
MolecularWeight
243.2994
MdlNumber
MFCD06227743
Smiles
O=C(OC(C)(C)C)N[C@@H]1CCC[C@@H](C1)C(=O)O
Complexity
295
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.7
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CatalogNumber: AB49897
ChemicalName: (1S,3R)-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid
CasNumber: 222530-34-9
MolecularFormula: C12H21NO4
MolecularWeight: 243.2994
MdlNumber: MFCD06227743
Smiles: O=C(OC(C)(C)C)N[C@@H]1CCC[C@@H](C1)C(=O)O
Complexity: 295
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AB49897
ChemicalName:
(1S,3R)-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid
CasNumber:
222530-34-9
MolecularFormula:
C12H21NO4
MolecularWeight:
243.2994
MdlNumber:
MFCD06227743
Smiles:
O=C(OC(C)(C)C)N[C@@H]1CCC[C@@H](C1)C(=O)O
Complexity:
295
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNCC(=O)OC.Cl
Complexity: 62.7
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCC(=O)OC.Cl
Complexity:
62.7
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(c(c1)Cl)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(c(c1)Cl)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49900
ChemicalName: 3-Bromo-5-trifluoromethylbenzaldehyde
CasNumber: 477535-41-4
MolecularFormula: C8H4BrF3O
MolecularWeight: 253.016
MdlNumber: MFCD08059506
Smiles: O=Cc1cc(Br)cc(c1)C(F)(F)F
Complexity: 192
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB49900
ChemicalName:
3-Bromo-5-trifluoromethylbenzaldehyde
CasNumber:
477535-41-4
MolecularFormula:
C8H4BrF3O
MolecularWeight:
253.016
MdlNumber:
MFCD08059506
Smiles:
O=Cc1cc(Br)cc(c1)C(F)(F)F
Complexity:
192
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3