AE48078
1183524-10-8 | 3-(3-Bromophenyl)-2-methylpropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE48078
ChemicalName
3-(3-Bromophenyl)-2-methylpropanoic acid
CasNumber
1183524-10-8
MolecularFormula
C10H11BrO2
MolecularWeight
243.0971
MdlNumber
MFCD12152860
Smiles
OC(=O)C(Cc1cccc(c1)Br)C
Complexity
182
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.9
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CatalogNumber: AE48078
ChemicalName: 3-(3-Bromophenyl)-2-methylpropanoic acid
CasNumber: 1183524-10-8
MolecularFormula: C10H11BrO2
MolecularWeight: 243.0971
MdlNumber: MFCD12152860
Smiles: OC(=O)C(Cc1cccc(c1)Br)C
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.9
CatalogNumber:
AE48078
ChemicalName:
3-(3-Bromophenyl)-2-methylpropanoic acid
CasNumber:
1183524-10-8
MolecularFormula:
C10H11BrO2
MolecularWeight:
243.0971
MdlNumber:
MFCD12152860
Smiles:
OC(=O)C(Cc1cccc(c1)Br)C
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.9
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Smiles: Brc1ccc2c(c1)c(Cl)ccn2.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
Brc1ccc2c(c1)c(Cl)ccn2.Cl
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)C3=CC(=CN=C32)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
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Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
__
MolecularWeight:
__
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Smiles:
CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)C3=CC(=CN=C32)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MdlNumber: __
Smiles: Clc1ccc(c(c1)n1ccc(n1)C)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(c(c1)n1ccc(n1)C)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__