200,000+ products from a single source!
sales@angenechem.com
88489-91-2 | Benzothiazole, 2-[4-(chloromethyl)phenyl]-
CAS No: 88489-91-2 Catalog No: AG0049B5 MDL No:
Product Description
Catalog Number:
AG0049B5
Chemical Name:
Benzothiazole, 2-[4-(chloromethyl)phenyl]-
CAS Number:
88489-91-2
Molecular Formula:
C14H10ClNS
Molecular Weight:
259.7539
IUPAC Name:
2-[4-(chloromethyl)phenyl]-1,3-benzothiazole
InChI:
InChI=1S/C14H10ClNS/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2
InChI Key:
SJOXCOCWMVLHPK-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.751g/mol
Monoisotopic Mass:
259.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.