Home Halogens Benzene, 1-bromo-4-isocyanato-

Benzene, 1-bromo-4-isocyanato-

CAS No.:
2493-02-9
Catalog Number:
AG002PXC
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$671
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Product Description
Catalog Number:
AG002PXC
Chemical Name:
Benzene, 1-bromo-4-isocyanato-
CAS Number:
2493-02-9
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
MDL Number:
MFCD00002022
IUPAC Name:
1-bromo-4-isocyanatobenzene
InChI:
InChI=1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChI Key:
CZQIJQFTRGDODI-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)Br
EC Number:
219-662-9
UNII:
MGR77M31ZW
NSC Number:
8037
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.948g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.019g/mol
Monoisotopic Mass:
196.948g/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  
Properties