Home Halogens 2,4-Dichlorophenyl isocyanate

2,4-Dichlorophenyl isocyanate

CAS No.:
2612-57-9
Catalog Number:
AG002RRW
Molecular Formula:
C7H3Cl2NO
Molecular Weight:
188.0108
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$113
- +
100g
98%
In Stock USA
United States
$350
- +
500g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG002RRW
Chemical Name:
2,4-Dichlorophenyl isocyanate
CAS Number:
2612-57-9
Molecular Formula:
C7H3Cl2NO
Molecular Weight:
188.0108
MDL Number:
MFCD00002001
IUPAC Name:
2,4-dichloro-1-isocyanatobenzene
InChI:
InChI=1S/C7H3Cl2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChI Key:
OLBJNSPBWLCTOT-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1Cl)Cl
EC Number:
220-040-4
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.007g/mol
Monoisotopic Mass:
186.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties