Home Nitriles 5-Chloro-2-formylbenzonitrile

5-Chloro-2-formylbenzonitrile

CAS No.:
77532-88-8
Catalog Number:
AG00GN2Y
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$159
- +
5g
95%
1 week
United States
$402
- +
Product Description
Catalog Number:
AG00GN2Y
Chemical Name:
5-Chloro-2-formylbenzonitrile
CAS Number:
77532-88-8
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
MDL Number:
MFCD10699538
IUPAC Name:
5-chloro-2-formylbenzonitrile
InChI:
InChI=1S/C8H4ClNO/c9-8-2-1-6(5-11)7(3-8)4-10/h1-3,5H
InChI Key:
PAYXNEOSNJICEG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1C=O
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.998g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.576g/mol
Monoisotopic Mass:
164.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties