AI39099
173315-56-5 | 2-Chloro-4-fluoro-3-methyl-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI39099
ChemicalName
2-Chloro-4-fluoro-3-methyl-5-nitrobenzoic acid
CasNumber
173315-56-5
MolecularFormula
C8H5ClFNO4
MolecularWeight
233.581
MdlNumber
MFCD23162137
Smiles
[O-][N+](=O)c1cc(C(=O)O)c(c(c1F)C)Cl
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AI39099
ChemicalName: 2-Chloro-4-fluoro-3-methyl-5-nitrobenzoic acid
CasNumber: 173315-56-5
MolecularFormula: C8H5ClFNO4
MolecularWeight: 233.581
MdlNumber: MFCD23162137
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(c(c1F)C)Cl
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AI39099
ChemicalName:
2-Chloro-4-fluoro-3-methyl-5-nitrobenzoic acid
CasNumber:
173315-56-5
MolecularFormula:
C8H5ClFNO4
MolecularWeight:
233.581
MdlNumber:
MFCD23162137
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1F)C)Cl
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)COCCOCCN1C(=O)C=CC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
OC(=O)COCCOCCN1C(=O)C=CC1=O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: Sc1nc2c(n1CCc1ccccc1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Sc1nc2c(n1CCc1ccccc1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)C=Cc1c(Cl)cccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)C=Cc1c(Cl)cccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__