Home Other Building Blocks 3-Chlorophenyl Isocyanate

3-Chlorophenyl Isocyanate

CAS No.:
2909-38-8
Catalog Number:
AG0033OF
Molecular Formula:
C7H4ClNO
Molecular Weight:
153.5658
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$48
- +
5g
98%
In Stock USA
United States
$104
- +
25g
98%
In Stock USA
United States
$289
- +
100g
98%
In Stock USA
United States
$828
- +
Product Description
Catalog Number:
AG0033OF
Chemical Name:
3-Chlorophenyl Isocyanate
CAS Number:
2909-38-8
Molecular Formula:
C7H4ClNO
Molecular Weight:
153.5658
MDL Number:
MFCD00002016
IUPAC Name:
1-chloro-3-isocyanatobenzene
InChI:
InChI=1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChI Key:
HHIRBXHEYVDUAM-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)Cl
EC Number:
220-822-5
UNII:
Y54698FM83
NSC Number:
76588
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.998g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.565g/mol
Monoisotopic Mass:
152.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
1-(3-Chloro-phen-yl)-3-(4-nitro-phen-yl)urea. Acta crystallographica. Section E, Structure reports online 20101101
Properties