AC90077
923266-17-5 | 4-Bromo-3-fluorocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AC90077
ChemicalName
4-Bromo-3-fluorocinnamic acid
CasNumber
923266-17-5
MolecularFormula
C9H6BrFO2
MolecularWeight
245.0451
MdlNumber
MFCD10000928
Smiles
OC(=O)/C=C/c1ccc(c(c1)F)Br
Complexity
218
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AC90077
ChemicalName: 4-Bromo-3-fluorocinnamic acid
CasNumber: 923266-17-5
MolecularFormula: C9H6BrFO2
MolecularWeight: 245.0451
MdlNumber: MFCD10000928
Smiles: OC(=O)/C=C/c1ccc(c(c1)F)Br
Complexity: 218
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AC90077
ChemicalName:
4-Bromo-3-fluorocinnamic acid
CasNumber:
923266-17-5
MolecularFormula:
C9H6BrFO2
MolecularWeight:
245.0451
MdlNumber:
MFCD10000928
Smiles:
OC(=O)/C=C/c1ccc(c(c1)F)Br
Complexity:
218
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
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Smiles: CC1CC(C)CN(C1)S(=O)(=O)Cl
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC1CC(C)CN(C1)S(=O)(=O)Cl
Complexity:
__
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__
DefinedBondStereocenterCount:
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HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCS(=O)(=O)Nc1ccccc1C(=O)O
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Smiles:
CCS(=O)(=O)Nc1ccccc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: CN(C(=O)Nc1ccc(cc1)I)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C(=O)Nc1ccc(cc1)I)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__