AA30791
125568-73-2 | Methyl 5-amino-2,4-difluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA30791
ChemicalName
Methyl 5-amino-2,4-difluorobenzoate
CasNumber
125568-73-2
MolecularFormula
C8H7F2NO2
MolecularWeight
187.1435
MdlNumber
MFCD09396710
Smiles
COC(=O)c1cc(N)c(cc1F)F
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AA30791
ChemicalName: Methyl 5-amino-2,4-difluorobenzoate
CasNumber: 125568-73-2
MolecularFormula: C8H7F2NO2
MolecularWeight: 187.1435
MdlNumber: MFCD09396710
Smiles: COC(=O)c1cc(N)c(cc1F)F
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AA30791
ChemicalName:
Methyl 5-amino-2,4-difluorobenzoate
CasNumber:
125568-73-2
MolecularFormula:
C8H7F2NO2
MolecularWeight:
187.1435
MdlNumber:
MFCD09396710
Smiles:
COC(=O)c1cc(N)c(cc1F)F
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AA30792
ChemicalName: Methyl 2,4-difluoro-5-nitrobenzoate
CasNumber: 125568-71-0
MolecularFormula: C8H5F2NO4
MolecularWeight: 217.1264
MdlNumber: MFCD07779369
Smiles: COC(=O)c1cc([N+](=O)[O-])c(cc1F)F
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AA30792
ChemicalName:
Methyl 2,4-difluoro-5-nitrobenzoate
CasNumber:
125568-71-0
MolecularFormula:
C8H5F2NO4
MolecularWeight:
217.1264
MdlNumber:
MFCD07779369
Smiles:
COC(=O)c1cc([N+](=O)[O-])c(cc1F)F
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(N(C(=O)C(=O)[O-])O)C.[K+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(N(C(=O)C(=O)[O-])O)C.[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Bi+3]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Bi+3]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__