AD37018
39608-47-4 | 3-Chloro-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD37018
ChemicalName
3-Chloro-4-nitrobenzoic acid
CasNumber
39608-47-4
MolecularFormula
C7H4ClNO4
MolecularWeight
201.56396000000004
MdlNumber
MFCD01632172
Smiles
OC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-]
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AD37018
ChemicalName: 3-Chloro-4-nitrobenzoic acid
CasNumber: 39608-47-4
MolecularFormula: C7H4ClNO4
MolecularWeight: 201.56396000000004
MdlNumber: MFCD01632172
Smiles: OC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-]
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AD37018
ChemicalName:
3-Chloro-4-nitrobenzoic acid
CasNumber:
39608-47-4
MolecularFormula:
C7H4ClNO4
MolecularWeight:
201.56396000000004
MdlNumber:
MFCD01632172
Smiles:
OC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-]
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)CC(=O)c1c(O)cc(cc1OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)CC(=O)c1c(O)cc(cc1OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[n+]1cn(cn1)N.[I-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[n+]1cn(cn1)N.[I-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)CCC=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)CCC=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__