AA76436
15115-58-9 | 3-(2-Bromophenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA76436
ChemicalName
3-(2-Bromophenyl)propanoic acid
CasNumber
15115-58-9
MolecularFormula
C9H9BrO2
MolecularWeight
229.0706
MdlNumber
MFCD01310791
Smiles
OC(=O)CCc1ccccc1Br
NscNumber
243189
Complexity
159
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AA76436
ChemicalName: 3-(2-Bromophenyl)propanoic acid
CasNumber: 15115-58-9
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD01310791
Smiles: OC(=O)CCc1ccccc1Br
NscNumber: 243189
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AA76436
ChemicalName:
3-(2-Bromophenyl)propanoic acid
CasNumber:
15115-58-9
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD01310791
Smiles:
OC(=O)CCc1ccccc1Br
NscNumber:
243189
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: AA76437
ChemicalName: 4-Bromo-1-phenyl-1H-pyrazole
CasNumber: 15115-52-3
MolecularFormula: C9H7BrN2
MolecularWeight: 223.0693
MdlNumber: MFCD18829539
Smiles: Brc1cnn(c1)c1ccccc1
NscNumber: __
Complexity: 146
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AA76437
ChemicalName:
4-Bromo-1-phenyl-1H-pyrazole
CasNumber:
15115-52-3
MolecularFormula:
C9H7BrN2
MolecularWeight:
223.0693
MdlNumber:
MFCD18829539
Smiles:
Brc1cnn(c1)c1ccccc1
NscNumber:
__
Complexity:
146
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1n(Br)c(=O)[nH]c(=O)n1Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1n(Br)c(=O)[nH]c(=O)n1Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1nc(c2c1nccc2)C=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1nc(c2c1nccc2)C=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__