AB63706
455-86-7 | 3,4-Difluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63706
ChemicalName
3,4-Difluorobenzoic acid
CasNumber
455-86-7
MolecularFormula
C7H4F2O2
MolecularWeight
158.1023
MdlNumber
MFCD00011672
Smiles
OC(=O)c1ccc(c(c1)F)F
NscNumber
190686
Complexity
161
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AB63706
ChemicalName: 3,4-Difluorobenzoic acid
CasNumber: 455-86-7
MolecularFormula: C7H4F2O2
MolecularWeight: 158.1023
MdlNumber: MFCD00011672
Smiles: OC(=O)c1ccc(c(c1)F)F
NscNumber: 190686
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB63706
ChemicalName:
3,4-Difluorobenzoic acid
CasNumber:
455-86-7
MolecularFormula:
C7H4F2O2
MolecularWeight:
158.1023
MdlNumber:
MFCD00011672
Smiles:
OC(=O)c1ccc(c(c1)F)F
NscNumber:
190686
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AB63707
ChemicalName: 3,4-Difluorobenzonitrile
CasNumber: 64248-62-0
MolecularFormula: C7H3F2N
MolecularWeight: 139.1022
MdlNumber: MFCD00011666
Smiles: N#Cc1ccc(c(c1)F)F
NscNumber: __
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
AB63707
ChemicalName:
3,4-Difluorobenzonitrile
CasNumber:
64248-62-0
MolecularFormula:
C7H3F2N
MolecularWeight:
139.1022
MdlNumber:
MFCD00011666
Smiles:
N#Cc1ccc(c(c1)F)F
NscNumber:
__
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(c(c1)F)F)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(c(c1)F)F)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1ccc(c(c1)F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1ccc(c(c1)F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__