AA43126
127818-58-0 | 3-methyl-5-nitrophenol
Manufacturer: A2B Chem
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CatalogNumber
AA43126
ChemicalName
3-methyl-5-nitrophenol
CasNumber
127818-58-0
MolecularFormula
C7H7NO3
MolecularWeight
153.1354
MdlNumber
MFCD09038591
Smiles
Cc1cc(O)cc(c1)[N+](=O)[O-]
NscNumber
41202
Complexity
154
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
Xlogp3
1.8
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CatalogNumber: AA43126
ChemicalName: 3-methyl-5-nitrophenol
CasNumber: 127818-58-0
MolecularFormula: C7H7NO3
MolecularWeight: 153.1354
MdlNumber: MFCD09038591
Smiles: Cc1cc(O)cc(c1)[N+](=O)[O-]
NscNumber: 41202
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 1.8
CatalogNumber:
AA43126
ChemicalName:
3-methyl-5-nitrophenol
CasNumber:
127818-58-0
MolecularFormula:
C7H7NO3
MolecularWeight:
153.1354
MdlNumber:
MFCD09038591
Smiles:
Cc1cc(O)cc(c1)[N+](=O)[O-]
NscNumber:
41202
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
1.8
CatalogNumber: AA43127
ChemicalName: 4-Methoxy-2-(trifluoromethyl)benzoic acid
CasNumber: 127817-85-0
MolecularFormula: C9H7F3O3
MolecularWeight: 220.1453
MdlNumber: MFCD01091013
Smiles: COc1ccc(c(c1)C(F)(F)F)C(=O)O
NscNumber: __
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
Xlogp3: 2.3
CatalogNumber:
AA43127
ChemicalName:
4-Methoxy-2-(trifluoromethyl)benzoic acid
CasNumber:
127817-85-0
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.1453
MdlNumber:
MFCD01091013
Smiles:
COc1ccc(c(c1)C(F)(F)F)C(=O)O
NscNumber:
__
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)COc1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)OCC(=O)O)C=C3)c1ccc(cc1)OCC(=O)O)[nH]2)c1ccc(cc1)OCC(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)COc1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)OCC(=O)O)C=C3)c1ccc(cc1)OCC(=O)O)[nH]2)c1ccc(cc1)OCC(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [N-]=[N+]=NCCCCC(=O)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[N-]=[N+]=NCCCCC(=O)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__