AC69444
99512-10-4 | 3-Amino-4-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AC69444
ChemicalName
3-Amino-4-nitrobenzonitrile
CasNumber
99512-10-4
MolecularFormula
C7H5N3O2
MolecularWeight
163.1335
MdlNumber
MFCD18389919
Smiles
N#Cc1ccc(c(c1)N)[N+](=O)[O-]
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
Xlogp3
0.9
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CatalogNumber: AC69444
ChemicalName: 3-Amino-4-nitrobenzonitrile
CasNumber: 99512-10-4
MolecularFormula: C7H5N3O2
MolecularWeight: 163.1335
MdlNumber: MFCD18389919
Smiles: N#Cc1ccc(c(c1)N)[N+](=O)[O-]
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 0.9
CatalogNumber:
AC69444
ChemicalName:
3-Amino-4-nitrobenzonitrile
CasNumber:
99512-10-4
MolecularFormula:
C7H5N3O2
MolecularWeight:
163.1335
MdlNumber:
MFCD18389919
Smiles:
N#Cc1ccc(c(c1)N)[N+](=O)[O-]
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
0.9
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
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
Xlogp3:
1.1
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Smiles: Clc1nc2sc(cc2c(n1)c1ccccc1F)C
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Smiles:
Clc1nc2sc(cc2c(n1)c1ccccc1F)C
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Smiles: [O-][n+]1ccc(c(c1CS(=O)(=O)c1nc2c([nH]1)cccc2)C)OCC(F)(F)F
Complexity: __
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Smiles:
[O-][n+]1ccc(c(c1CS(=O)(=O)c1nc2c([nH]1)cccc2)C)OCC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Xlogp3:
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