AF87990
337973-04-3 | 1,3-Dimethyl-5-(3-nitrophenyl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AF87990
ChemicalName
1,3-Dimethyl-5-(3-nitrophenyl)benzene
CasNumber
337973-04-3
MolecularFormula
C14H13NO2
MolecularWeight
227.2585
MdlNumber
MFCD21609588
Smiles
Cc1cc(C)cc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
4.6
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CatalogNumber: AF87990
ChemicalName: 1,3-Dimethyl-5-(3-nitrophenyl)benzene
CasNumber: 337973-04-3
MolecularFormula: C14H13NO2
MolecularWeight: 227.2585
MdlNumber: MFCD21609588
Smiles: Cc1cc(C)cc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 4.6
CatalogNumber:
AF87990
ChemicalName:
1,3-Dimethyl-5-(3-nitrophenyl)benzene
CasNumber:
337973-04-3
MolecularFormula:
C14H13NO2
MolecularWeight:
227.2585
MdlNumber:
MFCD21609588
Smiles:
Cc1cc(C)cc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
4.6
CatalogNumber: AF87991
ChemicalName: 1-Methyl-4-[(E)-2-nitroethenyl]pyrazole
CasNumber: 3156-58-9
MolecularFormula: C6H7N3O2
MolecularWeight: 153.1387
MdlNumber: MFCD16061742
Smiles: [O-][N+](=O)/C=C/c1cnn(c1)C
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AF87991
ChemicalName:
1-Methyl-4-[(E)-2-nitroethenyl]pyrazole
CasNumber:
3156-58-9
MolecularFormula:
C6H7N3O2
MolecularWeight:
153.1387
MdlNumber:
MFCD16061742
Smiles:
[O-][N+](=O)/C=C/c1cnn(c1)C
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: AF87992
ChemicalName: Ethyl 4-hydrazinyl-3-nitrobenzoate
CasNumber: 355425-79-5
MolecularFormula: C9H11N3O4
MolecularWeight: 225.20134000000002
MdlNumber: MFCD02376027
Smiles: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NN
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AF87992
ChemicalName:
Ethyl 4-hydrazinyl-3-nitrobenzoate
CasNumber:
355425-79-5
MolecularFormula:
C9H11N3O4
MolecularWeight:
225.20134000000002
MdlNumber:
MFCD02376027
Smiles:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NN
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
1.9
CatalogNumber: AF87993
ChemicalName: N-Ethyl-5-methoxy-2-nitroaniline
CasNumber: 314755-31-2
MolecularFormula: C9H12N2O3
MolecularWeight: 196.2032
MdlNumber: MFCD00570802
Smiles: CCNc1cc(OC)ccc1[N+](=O)[O-]
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AF87993
ChemicalName:
N-Ethyl-5-methoxy-2-nitroaniline
CasNumber:
314755-31-2
MolecularFormula:
C9H12N2O3
MolecularWeight:
196.2032
MdlNumber:
MFCD00570802
Smiles:
CCNc1cc(OC)ccc1[N+](=O)[O-]
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.6