Home Other Building Blocks 1-Chloro-4-isocyanobenzene

1-Chloro-4-isocyanobenzene

CAS No.:
1885-81-0
Catalog Number:
AG002GXG
Molecular Formula:
C7H4ClN
Molecular Weight:
137.5664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$350
- +
1g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG002GXG
Chemical Name:
1-Chloro-4-isocyanobenzene
CAS Number:
1885-81-0
Molecular Formula:
C7H4ClN
Molecular Weight:
137.5664
MDL Number:
MFCD05664317
IUPAC Name:
1-chloro-4-isocyanobenzene
InChI:
InChI=1S/C7H4ClN/c1-9-7-4-2-6(8)3-5-7/h2-5H
InChI Key:
QPPCIPBFKQOIMT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)[N+]#[C-]
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.003g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.566g/mol
Monoisotopic Mass:
137.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Donor-acceptor properties of isonitriles studied by photoelectron spectroscopy and electron transmission spectroscopy. Journal of mass spectrometry : JMS 20041201
Properties