AA88429
16588-06-0 | 4-Chloro-3-nitrobenzamide
Manufacturer: A2B Chem
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CatalogNumber
AA88429
ChemicalName
4-Chloro-3-nitrobenzamide
CasNumber
16588-06-0
MolecularFormula
C7H5ClN2O3
MolecularWeight
200.5792
MdlNumber
MFCD00017134
Smiles
[O-][N+](=O)c1cc(ccc1Cl)C(=O)N
NscNumber
127825
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AA88429
ChemicalName: 4-Chloro-3-nitrobenzamide
CasNumber: 16588-06-0
MolecularFormula: C7H5ClN2O3
MolecularWeight: 200.5792
MdlNumber: MFCD00017134
Smiles: [O-][N+](=O)c1cc(ccc1Cl)C(=O)N
NscNumber: 127825
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AA88429
ChemicalName:
4-Chloro-3-nitrobenzamide
CasNumber:
16588-06-0
MolecularFormula:
C7H5ClN2O3
MolecularWeight:
200.5792
MdlNumber:
MFCD00017134
Smiles:
[O-][N+](=O)c1cc(ccc1Cl)C(=O)N
NscNumber:
127825
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AA88430
ChemicalName: 2-Chloro-5-nitrobenzonitrile
CasNumber: 16588-02-6
MolecularFormula: C7H3ClN2O2
MolecularWeight: 182.56392
MdlNumber: MFCD00007292
Smiles: N#Cc1cc(ccc1Cl)[N+](=O)[O-]
NscNumber: 28973
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AA88430
ChemicalName:
2-Chloro-5-nitrobenzonitrile
CasNumber:
16588-02-6
MolecularFormula:
C7H3ClN2O2
MolecularWeight:
182.56392
MdlNumber:
MFCD00007292
Smiles:
N#Cc1cc(ccc1Cl)[N+](=O)[O-]
NscNumber:
28973
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AA88431
ChemicalName: 4-tert-Amylcyclohexanone
CasNumber: 16587-71-6
MolecularFormula: C11H20O
MolecularWeight: 168.2759
MdlNumber: MFCD00013798
Smiles: CCC(C1CCC(=O)CC1)(C)C
NscNumber: 21167
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AA88431
ChemicalName:
4-tert-Amylcyclohexanone
CasNumber:
16587-71-6
MolecularFormula:
C11H20O
MolecularWeight:
168.2759
MdlNumber:
MFCD00013798
Smiles:
CCC(C1CCC(=O)CC1)(C)C
NscNumber:
21167
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C)c2c(c1)cc(s2)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C)c2c(c1)cc(s2)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__