200,000+ products from a single source!
sales@angenechem.com
71189-13-4 | 2-Bromo-4-methylphenyl isocyanate
CAS No: 71189-13-4 Catalog No: AG003GOO MDL No:MFCD03701593
Product Description
Catalog Number:
AG003GOO
Chemical Name:
2-Bromo-4-methylphenyl isocyanate
CAS Number:
71189-13-4
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD03701593
IUPAC Name:
2-bromo-1-isocyanato-4-methylbenzene
InChI:
InChI=1S/C8H6BrNO/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3
InChI Key:
HUSGEXYNVCQXKA-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1Br)C
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.