200,000+ products from a single source!
sales@angenechem.com
17863-40-0 | Benzene, 1-bromo-2-(isothiocyanatomethyl)-
CAS No: 17863-40-0 Catalog No: AG00267Z MDL No:
Product Description
Catalog Number:
AG00267Z
Chemical Name:
Benzene, 1-bromo-2-(isothiocyanatomethyl)-
CAS Number:
17863-40-0
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
IUPAC Name:
1-bromo-2-(isothiocyanatomethyl)benzene
InChI:
InChI=1S/C8H6BrNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2
InChI Key:
PZFIQSXNILACQZ-UHFFFAOYSA-N
SMILES:
S=C=NCc1ccccc1Br
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.94g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.107g/mol
Monoisotopic Mass:
226.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.