AG33244
52095-18-8 | 3,5-Dimethyl-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG33244
ChemicalName
3,5-Dimethyl-2-nitrobenzoic acid
CasNumber
52095-18-8
MolecularFormula
C9H9NO4
MolecularWeight
195.17206000000002
MdlNumber
MFCD12828399
Smiles
Cc1cc(C)c(c(c1)C(=O)O)[N+](=O)[O-]
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AG33244
ChemicalName: 3,5-Dimethyl-2-nitrobenzoic acid
CasNumber: 52095-18-8
MolecularFormula: C9H9NO4
MolecularWeight: 195.17206000000002
MdlNumber: MFCD12828399
Smiles: Cc1cc(C)c(c(c1)C(=O)O)[N+](=O)[O-]
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AG33244
ChemicalName:
3,5-Dimethyl-2-nitrobenzoic acid
CasNumber:
52095-18-8
MolecularFormula:
C9H9NO4
MolecularWeight:
195.17206000000002
MdlNumber:
MFCD12828399
Smiles:
Cc1cc(C)c(c(c1)C(=O)O)[N+](=O)[O-]
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(Cl)[nH]c2c1cc(Cl)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(Cl)[nH]c2c1cc(Cl)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG33246
ChemicalName: 6-Methoxy-1,5-naphthyridin-4(1h)-one
CasNumber: 443955-22-4
MolecularFormula: C9H8N2O2
MolecularWeight: 176.172
MdlNumber: MFCD18837813
Smiles: COc1ccc2c(n1)c(=O)cc[nH]2
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AG33246
ChemicalName:
6-Methoxy-1,5-naphthyridin-4(1h)-one
CasNumber:
443955-22-4
MolecularFormula:
C9H8N2O2
MolecularWeight:
176.172
MdlNumber:
MFCD18837813
Smiles:
COc1ccc2c(n1)c(=O)cc[nH]2
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1N)C(=O)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1N)C(=O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__