AI07252
107757-05-1 | (3-Methyl-5-nitrophenyl)methanol
Manufacturer: A2B Chem
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CatalogNumber
AI07252
ChemicalName
(3-Methyl-5-nitrophenyl)methanol
CasNumber
107757-05-1
MolecularFormula
C8H9NO3
MolecularWeight
167.162
MdlNumber
MFCD18399653
Smiles
OCc1cc(C)cc(c1)[N+](=O)[O-]
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AI07252
ChemicalName: (3-Methyl-5-nitrophenyl)methanol
CasNumber: 107757-05-1
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD18399653
Smiles: OCc1cc(C)cc(c1)[N+](=O)[O-]
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AI07252
ChemicalName:
(3-Methyl-5-nitrophenyl)methanol
CasNumber:
107757-05-1
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD18399653
Smiles:
OCc1cc(C)cc(c1)[N+](=O)[O-]
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(c(c1)OCc1ccccc1)C
Complexity: 199
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(c(c1)OCc1ccccc1)C
Complexity:
199
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)Cl)N1CCN(CC1)C(=O)c1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)Cl)N1CCN(CC1)C(=O)c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(c1ccccc1)CC(=O)O
Complexity: 164
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(c1ccccc1)CC(=O)O
Complexity:
164
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.6