Home Other Building Blocks 4-Bromo-2-methylphenyl isocyanate

4-Bromo-2-methylphenyl isocyanate

CAS No.:
1591-98-6
Catalog Number:
AG001QH8
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG001QH8
Chemical Name:
4-Bromo-2-methylphenyl isocyanate
CAS Number:
1591-98-6
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD00037039
IUPAC Name:
4-bromo-1-isocyanato-2-methylbenzene
InChI:
InChI=1S/C8H6BrNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
InChI Key:
NXAYRHQYINQHRF-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1C)Br
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties