AD36710
118-97-8 | 4-Chloro-3,5-dinitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD36710
ChemicalName
4-Chloro-3,5-dinitrobenzoic acid
CasNumber
118-97-8
MolecularFormula
C7H3ClN2O6
MolecularWeight
246.5615
MdlNumber
MFCD00007080
Smiles
[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(=O)O
NscNumber
76583
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AD36710
ChemicalName: 4-Chloro-3,5-dinitrobenzoic acid
CasNumber: 118-97-8
MolecularFormula: C7H3ClN2O6
MolecularWeight: 246.5615
MdlNumber: MFCD00007080
Smiles: [O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(=O)O
NscNumber: 76583
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AD36710
ChemicalName:
4-Chloro-3,5-dinitrobenzoic acid
CasNumber:
118-97-8
MolecularFormula:
C7H3ClN2O6
MolecularWeight:
246.5615
MdlNumber:
MFCD00007080
Smiles:
[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(=O)O
NscNumber:
76583
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
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Smiles: CCc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)CC
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Smiles:
CCc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)CC
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Smiles: OCC=CC(C(C(F)(F)F)(F)F)(F)F
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OCC=CC(C(C(F)(F)F)(F)F)(F)F
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Smiles: COc1cc(O)cc2c1C(=O)c1c(C2=O)cc(cc1O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(O)cc2c1C(=O)c1c(C2=O)cc(cc1O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__