AA45478
71079-03-3 | 2-Amino-2-(4-bromophenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA45478
ChemicalName
2-Amino-2-(4-bromophenyl)acetic acid
CasNumber
71079-03-3
MolecularFormula
C8H8BrNO2
MolecularWeight
230.0586
MdlNumber
MFCD00049327
Smiles
NC(c1ccc(cc1)Br)C(=O)O
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-1
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CatalogNumber: AA45478
ChemicalName: 2-Amino-2-(4-bromophenyl)acetic acid
CasNumber: 71079-03-3
MolecularFormula: C8H8BrNO2
MolecularWeight: 230.0586
MdlNumber: MFCD00049327
Smiles: NC(c1ccc(cc1)Br)C(=O)O
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -1
CatalogNumber:
AA45478
ChemicalName:
2-Amino-2-(4-bromophenyl)acetic acid
CasNumber:
71079-03-3
MolecularFormula:
C8H8BrNO2
MolecularWeight:
230.0586
MdlNumber:
MFCD00049327
Smiles:
NC(c1ccc(cc1)Br)C(=O)O
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1CCN(CC1)Cc1cncc(c1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1CCN(CC1)Cc1cncc(c1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA45480
ChemicalName: 2-Methyl-1-((3-nitroquinolin-4-yl)amino)propan-2-ol
CasNumber: 129655-57-8
MolecularFormula: C13H15N3O3
MolecularWeight: 261.2765
MdlNumber: MFCD22044569
Smiles: [O-][N+](=O)c1cnc2c(c1NCC(O)(C)C)cccc2
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
AA45480
ChemicalName:
2-Methyl-1-((3-nitroquinolin-4-yl)amino)propan-2-ol
CasNumber:
129655-57-8
MolecularFormula:
C13H15N3O3
MolecularWeight:
261.2765
MdlNumber:
MFCD22044569
Smiles:
[O-][N+](=O)c1cnc2c(c1NCC(O)(C)C)cccc2
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc2c(c1)cc([nH]2)C(=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc2c(c1)cc([nH]2)C(=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__