AB44636
80866-75-7 | 3-Methyl-4-nitrobenzyl alcohol
Manufacturer: A2B Chem
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CatalogNumber
AB44636
ChemicalName
3-Methyl-4-nitrobenzyl alcohol
CasNumber
80866-75-7
MolecularFormula
C8H9NO3
MolecularWeight
167.162
MdlNumber
MFCD00007171
Smiles
OCc1ccc(c(c1)C)[N+](=O)[O-]
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AB44636
ChemicalName: 3-Methyl-4-nitrobenzyl alcohol
CasNumber: 80866-75-7
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD00007171
Smiles: OCc1ccc(c(c1)C)[N+](=O)[O-]
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB44636
ChemicalName:
3-Methyl-4-nitrobenzyl alcohol
CasNumber:
80866-75-7
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD00007171
Smiles:
OCc1ccc(c(c1)C)[N+](=O)[O-]
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: AB44637
ChemicalName: 3-Methyl-6-nitro-1h-indazole
CasNumber: 6494-19-5
MolecularFormula: C8H7N3O2
MolecularWeight: 177.1601
MdlNumber: MFCD07082704
Smiles: [O-][N+](=O)c1ccc2c(c1)[nH]nc2C
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AB44637
ChemicalName:
3-Methyl-6-nitro-1h-indazole
CasNumber:
6494-19-5
MolecularFormula:
C8H7N3O2
MolecularWeight:
177.1601
MdlNumber:
MFCD07082704
Smiles:
[O-][N+](=O)c1ccc2c(c1)[nH]nc2C
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: AB44638
ChemicalName: 3-Methylaminopropionitrile
CasNumber: 693-05-0
MolecularFormula: C4H8N2
MolecularWeight: 84.1197
MdlNumber: MFCD00001954
Smiles: CNCCC#N
Complexity: 59.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.5
CatalogNumber:
AB44638
ChemicalName:
3-Methylaminopropionitrile
CasNumber:
693-05-0
MolecularFormula:
C4H8N2
MolecularWeight:
84.1197
MdlNumber:
MFCD00001954
Smiles:
CNCCC#N
Complexity:
59.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1noc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1noc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__