AA80118
158066-11-6 | 2'-(Boc-aminomethyl)-biphenyl-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA80118
ChemicalName
2'-(Boc-aminomethyl)-biphenyl-2-carboxylic acid
CasNumber
158066-11-6
MolecularFormula
C19H21NO4
MolecularWeight
327.3743
MdlNumber
MFCD04974227
Smiles
O=C(OC(C)(C)C)NCc1ccccc1c1ccccc1C(=O)O
Complexity
443
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
3.6
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CatalogNumber: AA80118
ChemicalName: 2'-(Boc-aminomethyl)-biphenyl-2-carboxylic acid
CasNumber: 158066-11-6
MolecularFormula: C19H21NO4
MolecularWeight: 327.3743
MdlNumber: MFCD04974227
Smiles: O=C(OC(C)(C)C)NCc1ccccc1c1ccccc1C(=O)O
Complexity: 443
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 3.6
CatalogNumber:
AA80118
ChemicalName:
2'-(Boc-aminomethyl)-biphenyl-2-carboxylic acid
CasNumber:
158066-11-6
MolecularFormula:
C19H21NO4
MolecularWeight:
327.3743
MdlNumber:
MFCD04974227
Smiles:
O=C(OC(C)(C)C)NCc1ccccc1c1ccccc1C(=O)O
Complexity:
443
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
3.6
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MolecularFormula: __
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Smiles: Clc1nc(Cl)c(c(c1)C(F)(F)F)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1nc(Cl)c(c(c1)C(F)(F)F)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OCCC#CC#CCCO
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Smiles:
OCCC#CC#CCCO
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: O=Cc1ccc(cc1[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1ccc(cc1[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__