AI45407
22731-70-0 | 1-(4-Bromophenyl)prop-2-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AI45407
ChemicalName
1-(4-Bromophenyl)prop-2-en-1-one
CasNumber
22731-70-0
MolecularFormula
C9H7BrO
MolecularWeight
211.0553
MdlNumber
MFCD02259860
Smiles
C=CC(=O)c1ccc(cc1)Br
Complexity
157
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AI45407
ChemicalName: 1-(4-Bromophenyl)prop-2-en-1-one
CasNumber: 22731-70-0
MolecularFormula: C9H7BrO
MolecularWeight: 211.0553
MdlNumber: MFCD02259860
Smiles: C=CC(=O)c1ccc(cc1)Br
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI45407
ChemicalName:
1-(4-Bromophenyl)prop-2-en-1-one
CasNumber:
22731-70-0
MolecularFormula:
C9H7BrO
MolecularWeight:
211.0553
MdlNumber:
MFCD02259860
Smiles:
C=CC(=O)c1ccc(cc1)Br
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: O=C(OCc1ccccc1)NCCCC(C(=O)O)NC(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(OCc1ccccc1)NCCCC(C(=O)O)NC(=O)OCc1ccccc1
Complexity:
__
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Smiles: O=C1NC(=O)c2c1cc(nc2Cl)C(C)(C)C
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O=C1NC(=O)c2c1cc(nc2Cl)C(C)(C)C
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: N#Cc1cccc(c1)c1cc(O)cc(c1)C(=O)OC
Complexity: __
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HeavyAtomCount: __
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Smiles:
N#Cc1cccc(c1)c1cc(O)cc(c1)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__