AD62163
18515-67-8 | 3-Methyl-4-nitrobenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AD62163
ChemicalName
3-Methyl-4-nitrobenzaldehyde
CasNumber
18515-67-8
MolecularFormula
C8H7NO3
MolecularWeight
165.1461
MdlNumber
MFCD08445621
Smiles
O=Cc1ccc(c(c1)C)[N+](=O)[O-]
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AD62163
ChemicalName: 3-Methyl-4-nitrobenzaldehyde
CasNumber: 18515-67-8
MolecularFormula: C8H7NO3
MolecularWeight: 165.1461
MdlNumber: MFCD08445621
Smiles: O=Cc1ccc(c(c1)C)[N+](=O)[O-]
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AD62163
ChemicalName:
3-Methyl-4-nitrobenzaldehyde
CasNumber:
18515-67-8
MolecularFormula:
C8H7NO3
MolecularWeight:
165.1461
MdlNumber:
MFCD08445621
Smiles:
O=Cc1ccc(c(c1)C)[N+](=O)[O-]
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2ccccc2c(c1O)c1c(O)c(OC)cc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2ccccc2c(c1O)c1c(O)c(OC)cc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1n[nH]c2c(c1=O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1n[nH]c2c(c1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD62169
ChemicalName: 1H-Cinnolin-4-one
CasNumber: 18514-84-6
MolecularFormula: C8H6N2O
MolecularWeight: 146.146
MdlNumber: MFCD08704234
Smiles: O=c1cn[nH]c2c1cccc2
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
AD62169
ChemicalName:
1H-Cinnolin-4-one
CasNumber:
18514-84-6
MolecularFormula:
C8H6N2O
MolecularWeight:
146.146
MdlNumber:
MFCD08704234
Smiles:
O=c1cn[nH]c2c1cccc2
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
0.8