AA48426
13300-63-5 | 3,4-Dichloro-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA48426
ChemicalName
3,4-Dichloro-5-nitrobenzoic acid
CasNumber
13300-63-5
MolecularFormula
C7H3Cl2NO4
MolecularWeight
236.009
MdlNumber
MFCD03988524
Smiles
[O-][N+](=O)c1cc(cc(c1Cl)Cl)C(=O)O
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.3
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CatalogNumber: AA48426
ChemicalName: 3,4-Dichloro-5-nitrobenzoic acid
CasNumber: 13300-63-5
MolecularFormula: C7H3Cl2NO4
MolecularWeight: 236.009
MdlNumber: MFCD03988524
Smiles: [O-][N+](=O)c1cc(cc(c1Cl)Cl)C(=O)O
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AA48426
ChemicalName:
3,4-Dichloro-5-nitrobenzoic acid
CasNumber:
13300-63-5
MolecularFormula:
C7H3Cl2NO4
MolecularWeight:
236.009
MdlNumber:
MFCD03988524
Smiles:
[O-][N+](=O)c1cc(cc(c1Cl)Cl)C(=O)O
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1c(ccc(c1Cl)Cl)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c(ccc(c1Cl)Cl)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(Cl)c(cc1Cl)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(Cl)c(cc1Cl)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCNc1cc(=O)n(c(=O)[nH]1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCNc1cc(=O)n(c(=O)[nH]1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__