AB12890
191478-99-6 | Methyl 4-amino-2,6-difluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB12890
ChemicalName
Methyl 4-amino-2,6-difluorobenzoate
CasNumber
191478-99-6
MolecularFormula
C8H7F2NO2
MolecularWeight
187.1435
MdlNumber
MFCD16038807
Smiles
COC(=O)c1c(F)cc(cc1F)N
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB12890
ChemicalName: Methyl 4-amino-2,6-difluorobenzoate
CasNumber: 191478-99-6
MolecularFormula: C8H7F2NO2
MolecularWeight: 187.1435
MdlNumber: MFCD16038807
Smiles: COC(=O)c1c(F)cc(cc1F)N
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB12890
ChemicalName:
Methyl 4-amino-2,6-difluorobenzoate
CasNumber:
191478-99-6
MolecularFormula:
C8H7F2NO2
MolecularWeight:
187.1435
MdlNumber:
MFCD16038807
Smiles:
COC(=O)c1c(F)cc(cc1F)N
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
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Smiles: OC(=O)c1cc(nc(c1)C(C)(C)C)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)c1cc(nc(c1)C(C)(C)C)C(C)(C)C
Complexity:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@@H]2C[C@H]1Oc1n2cc(c(=O)n1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@@H]2C[C@H]1Oc1n2cc(c(=O)n1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__