Home Halogens Benzonitrile, 3-chloro-4-(hydroxymethyl)-

Benzonitrile, 3-chloro-4-(hydroxymethyl)-

CAS No.:
1261618-25-0
Catalog Number:
AG000RW6
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000RW6
Chemical Name:
Benzonitrile, 3-chloro-4-(hydroxymethyl)-
CAS Number:
1261618-25-0
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD18392443
IUPAC Name:
3-chloro-4-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6ClNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2
InChI Key:
ZECBKYXCUGIQJV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)CO
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties