AB64589
54788-30-6 | 2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB64589
ChemicalName
2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid
CasNumber
54788-30-6
MolecularFormula
C9H10BrNO3
MolecularWeight
260.0846
MdlNumber
MFCD09842061
Smiles
OC(=O)C(Cc1ccc(c(c1)Br)O)N
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-1.7
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CatalogNumber: AB64589
ChemicalName: 2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid
CasNumber: 54788-30-6
MolecularFormula: C9H10BrNO3
MolecularWeight: 260.0846
MdlNumber: MFCD09842061
Smiles: OC(=O)C(Cc1ccc(c(c1)Br)O)N
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -1.7
CatalogNumber:
AB64589
ChemicalName:
2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid
CasNumber:
54788-30-6
MolecularFormula:
C9H10BrNO3
MolecularWeight:
260.0846
MdlNumber:
MFCD09842061
Smiles:
OC(=O)C(Cc1ccc(c(c1)Br)O)N
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCC=C
Complexity: 24.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCC=C
Complexity:
24.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C=C)O
Complexity: 32.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C=C)O
Complexity:
32.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C=C)OC(=O)C
Complexity: 96.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C=C)OC(=O)C
Complexity:
96.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2