AA79645
157652-31-8 | 3,4-Difluoro-2-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA79645
ChemicalName
3,4-Difluoro-2-methylbenzoic acid
CasNumber
157652-31-8
MolecularFormula
C8H6F2O2
MolecularWeight
172.1288
MdlNumber
MFCD07777153
Smiles
OC(=O)c1ccc(c(c1C)F)F
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AA79645
ChemicalName: 3,4-Difluoro-2-methylbenzoic acid
CasNumber: 157652-31-8
MolecularFormula: C8H6F2O2
MolecularWeight: 172.1288
MdlNumber: MFCD07777153
Smiles: OC(=O)c1ccc(c(c1C)F)F
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AA79645
ChemicalName:
3,4-Difluoro-2-methylbenzoic acid
CasNumber:
157652-31-8
MolecularFormula:
C8H6F2O2
MolecularWeight:
172.1288
MdlNumber:
MFCD07777153
Smiles:
OC(=O)c1ccc(c(c1C)F)F
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AA79646
ChemicalName: Methyl 2-(bromomethyl)-4-fluorobenzoate
CasNumber: 157652-28-3
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.0610232
MdlNumber: MFCD11505951
Smiles: COC(=O)c1ccc(cc1CBr)F
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AA79646
ChemicalName:
Methyl 2-(bromomethyl)-4-fluorobenzoate
CasNumber:
157652-28-3
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.0610232
MdlNumber:
MFCD11505951
Smiles:
COC(=O)c1ccc(cc1CBr)F
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1CBr)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1CBr)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC[C@@H](C(=O)O)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC[C@@H](C(=O)O)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__