AB51381
117738-76-8 | 4-Chloro-3-cyanobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB51381
ChemicalName
4-Chloro-3-cyanobenzoic acid
CasNumber
117738-76-8
MolecularFormula
C8H4ClNO2
MolecularWeight
181.5759
MdlNumber
MFCD09999808
Smiles
N#Cc1cc(ccc1Cl)C(=O)O
Complexity
233
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AB51381
ChemicalName: 4-Chloro-3-cyanobenzoic acid
CasNumber: 117738-76-8
MolecularFormula: C8H4ClNO2
MolecularWeight: 181.5759
MdlNumber: MFCD09999808
Smiles: N#Cc1cc(ccc1Cl)C(=O)O
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB51381
ChemicalName:
4-Chloro-3-cyanobenzoic acid
CasNumber:
117738-76-8
MolecularFormula:
C8H4ClNO2
MolecularWeight:
181.5759
MdlNumber:
MFCD09999808
Smiles:
N#Cc1cc(ccc1Cl)C(=O)O
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: AB51382
ChemicalName: 4-Bromo-3,5-dichlorobenzoic acid
CasNumber: 117738-75-7
MolecularFormula: C7H3BrCl2O2
MolecularWeight: 269.9075
MdlNumber: MFCD14704247
Smiles: OC(=O)c1cc(Cl)c(c(c1)Cl)Br
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AB51382
ChemicalName:
4-Bromo-3,5-dichlorobenzoic acid
CasNumber:
117738-75-7
MolecularFormula:
C7H3BrCl2O2
MolecularWeight:
269.9075
MdlNumber:
MFCD14704247
Smiles:
OC(=O)c1cc(Cl)c(c(c1)Cl)Br
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(nc1Cl)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(nc1Cl)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB51384
ChemicalName: Oxazole-4-carboxaldehyde
CasNumber: 118994-84-6
MolecularFormula: C4H3NO2
MolecularWeight: 97.0721
MdlNumber: MFCD02179512
Smiles: O=Cc1cocn1
Complexity: 74.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AB51384
ChemicalName:
Oxazole-4-carboxaldehyde
CasNumber:
118994-84-6
MolecularFormula:
C4H3NO2
MolecularWeight:
97.0721
MdlNumber:
MFCD02179512
Smiles:
O=Cc1cocn1
Complexity:
74.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
0.1