AC87802
952-03-4 | 1-Methyl-3-(3-nitrophenyl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AC87802
ChemicalName
1-Methyl-3-(3-nitrophenyl)benzene
CasNumber
952-03-4
MolecularFormula
C13H11NO2
MolecularWeight
213.2319
MdlNumber
MFCD21332989
Smiles
Cc1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
4.2
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CatalogNumber: AC87802
ChemicalName: 1-Methyl-3-(3-nitrophenyl)benzene
CasNumber: 952-03-4
MolecularFormula: C13H11NO2
MolecularWeight: 213.2319
MdlNumber: MFCD21332989
Smiles: Cc1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 4.2
CatalogNumber:
AC87802
ChemicalName:
1-Methyl-3-(3-nitrophenyl)benzene
CasNumber:
952-03-4
MolecularFormula:
C13H11NO2
MolecularWeight:
213.2319
MdlNumber:
MFCD21332989
Smiles:
Cc1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(cc(c1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(cc(c1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(Cl)c2c(n1)ccc(c2)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(Cl)c2c(n1)ccc(c2)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC87813
ChemicalName: 2-Bromo-N-cyclopropylisonicotinamide
CasNumber: 951885-74-8
MolecularFormula: C9H9BrN2O
MolecularWeight: 241.0846
MdlNumber: MFCD09878430
Smiles: Brc1nccc(c1)C(=O)NC1CC1
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AC87813
ChemicalName:
2-Bromo-N-cyclopropylisonicotinamide
CasNumber:
951885-74-8
MolecularFormula:
C9H9BrN2O
MolecularWeight:
241.0846
MdlNumber:
MFCD09878430
Smiles:
Brc1nccc(c1)C(=O)NC1CC1
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.6