AI53105
58588-64-0 | 3-Chloro-4-formylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI53105
ChemicalName
3-Chloro-4-formylbenzonitrile
CasNumber
58588-64-0
MolecularFormula
C8H4ClNO
MolecularWeight
165.5765
MdlNumber
MFCD11036376
Smiles
N#Cc1ccc(c(c1)Cl)C=O
Complexity
196
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AI53105
ChemicalName: 3-Chloro-4-formylbenzonitrile
CasNumber: 58588-64-0
MolecularFormula: C8H4ClNO
MolecularWeight: 165.5765
MdlNumber: MFCD11036376
Smiles: N#Cc1ccc(c(c1)Cl)C=O
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AI53105
ChemicalName:
3-Chloro-4-formylbenzonitrile
CasNumber:
58588-64-0
MolecularFormula:
C8H4ClNO
MolecularWeight:
165.5765
MdlNumber:
MFCD11036376
Smiles:
N#Cc1ccc(c(c1)Cl)C=O
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1cc[nH]c2c1CCCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1cc[nH]c2c1CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1ccc(cc1)Br
Complexity: 130
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1ccc(cc1)Br
Complexity:
130
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8