AC69445
99512-09-1 | Methyl 3-amino-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC69445
ChemicalName
Methyl 3-amino-4-nitrobenzoate
CasNumber
99512-09-1
MolecularFormula
C8H8N2O4
MolecularWeight
196.1601
MdlNumber
MFCD00017008
Smiles
COC(=O)c1ccc(c(c1)N)[N+](=O)[O-]
Complexity
238
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AC69445
ChemicalName: Methyl 3-amino-4-nitrobenzoate
CasNumber: 99512-09-1
MolecularFormula: C8H8N2O4
MolecularWeight: 196.1601
MdlNumber: MFCD00017008
Smiles: COC(=O)c1ccc(c(c1)N)[N+](=O)[O-]
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AC69445
ChemicalName:
Methyl 3-amino-4-nitrobenzoate
CasNumber:
99512-09-1
MolecularFormula:
C8H8N2O4
MolecularWeight:
196.1601
MdlNumber:
MFCD00017008
Smiles:
COC(=O)c1ccc(c(c1)N)[N+](=O)[O-]
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1nc2sc(cc2c(n1)c1ccccc1F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1nc2sc(cc2c(n1)c1ccccc1F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][n+]1ccc(c(c1CS(=O)(=O)c1nc2c([nH]1)cccc2)C)OCC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][n+]1ccc(c(c1CS(=O)(=O)c1nc2c([nH]1)cccc2)C)OCC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC69463
ChemicalName: Methyl 5-fluoro-6-methoxynicotinate
CasNumber: 953780-40-0
MolecularFormula: C8H8FNO3
MolecularWeight: 185.15242319999996
MdlNumber: MFCD14698157
Smiles: COC(=O)c1cnc(c(c1)F)OC
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AC69463
ChemicalName:
Methyl 5-fluoro-6-methoxynicotinate
CasNumber:
953780-40-0
MolecularFormula:
C8H8FNO3
MolecularWeight:
185.15242319999996
MdlNumber:
MFCD14698157
Smiles:
COC(=O)c1cnc(c(c1)F)OC
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.1