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Home > Bromides > 1227629-45-9
1227629-45-9 | Benzothiazole, 2-(bromomethyl)-7-phenyl-
CAS No: 1227629-45-9 Catalog No: AG000JF5 MDL No:
Product Description
Catalog Number:
AG000JF5
Chemical Name:
Benzothiazole, 2-(bromomethyl)-7-phenyl-
CAS Number:
1227629-45-9
Molecular Formula:
C14H10BrNS
Molecular Weight:
304.2049
IUPAC Name:
2-(bromomethyl)-7-phenyl-1,3-benzothiazole
InChI:
InChI=1S/C14H10BrNS/c15-9-13-16-12-8-4-7-11(14(12)17-13)10-5-2-1-3-6-10/h1-8H,9H2
InChI Key:
RHDCGSICCSEYKT-UHFFFAOYSA-N
SMILES:
BrCc1nc2c(s1)c(ccc2)c1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.972g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.205g/mol
Monoisotopic Mass:
302.972g/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
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