AG27338
500577-99-1 | 4-Amino-3,5-difluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG27338
ChemicalName
4-Amino-3,5-difluorobenzoic acid
CasNumber
500577-99-1
MolecularFormula
C7H5F2NO2
MolecularWeight
173.1169
MdlNumber
MFCD03407440
Smiles
OC(=O)c1cc(F)c(c(c1)F)N
NscNumber
135302
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AG27338
ChemicalName: 4-Amino-3,5-difluorobenzoic acid
CasNumber: 500577-99-1
MolecularFormula: C7H5F2NO2
MolecularWeight: 173.1169
MdlNumber: MFCD03407440
Smiles: OC(=O)c1cc(F)c(c(c1)F)N
NscNumber: 135302
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AG27338
ChemicalName:
4-Amino-3,5-difluorobenzoic acid
CasNumber:
500577-99-1
MolecularFormula:
C7H5F2NO2
MolecularWeight:
173.1169
MdlNumber:
MFCD03407440
Smiles:
OC(=O)c1cc(F)c(c(c1)F)N
NscNumber:
135302
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H]1CCCN1Cc1ccccc1
NscNumber: __
Complexity: 224
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H]1CCCN1Cc1ccccc1
NscNumber:
__
Complexity:
224
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C(c1c[nH]c2c1cccn2)C#N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C(c1c[nH]c2c1cccn2)C#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccnn1C(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccnn1C(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__