AB64737
34662-36-7 | 3-Chloro-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB64737
ChemicalName
3-Chloro-5-nitrobenzoic acid
CasNumber
34662-36-7
MolecularFormula
C7H4ClNO4
MolecularWeight
201.56396
MdlNumber
MFCD09263224
Smiles
Clc1cc(cc(c1)C(=O)O)[N+](=O)[O-]
NscNumber
6112
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AB64737
ChemicalName: 3-Chloro-5-nitrobenzoic acid
CasNumber: 34662-36-7
MolecularFormula: C7H4ClNO4
MolecularWeight: 201.56396
MdlNumber: MFCD09263224
Smiles: Clc1cc(cc(c1)C(=O)O)[N+](=O)[O-]
NscNumber: 6112
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB64737
ChemicalName:
3-Chloro-5-nitrobenzoic acid
CasNumber:
34662-36-7
MolecularFormula:
C7H4ClNO4
MolecularWeight:
201.56396
MdlNumber:
MFCD09263224
Smiles:
Clc1cc(cc(c1)C(=O)O)[N+](=O)[O-]
NscNumber:
6112
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AB64738
ChemicalName: 3-Chloro-5-nitrobenzonitrile
CasNumber: 34662-30-1
MolecularFormula: C7H3ClN2O2
MolecularWeight: 182.5639
MdlNumber: MFCD00463805
Smiles: N#Cc1cc(Cl)cc(c1)N(=O)=O
NscNumber: __
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AB64738
ChemicalName:
3-Chloro-5-nitrobenzonitrile
CasNumber:
34662-30-1
MolecularFormula:
C7H3ClN2O2
MolecularWeight:
182.5639
MdlNumber:
MFCD00463805
Smiles:
N#Cc1cc(Cl)cc(c1)N(=O)=O
NscNumber:
__
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AB64739
ChemicalName: 3-Chloro-5-nitro-1h-pyridin-2-one
CasNumber: 22353-38-4
MolecularFormula: C5H3ClN2O3
MolecularWeight: 174.5419
MdlNumber: MFCD06656618
Smiles: [O-][N+](=O)c1c[nH]c(=O)c(c1)Cl
NscNumber: 349953
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AB64739
ChemicalName:
3-Chloro-5-nitro-1h-pyridin-2-one
CasNumber:
22353-38-4
MolecularFormula:
C5H3ClN2O3
MolecularWeight:
174.5419
MdlNumber:
MFCD06656618
Smiles:
[O-][N+](=O)c1c[nH]c(=O)c(c1)Cl
NscNumber:
349953
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cncc(c1)N(=O)=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cncc(c1)N(=O)=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__