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142207-86-1 | Benzothiazole, 2-[3-(dibromomethyl)phenyl]-
CAS No: 142207-86-1 Catalog No: AG001HYW MDL No:
Product Description
Catalog Number:
AG001HYW
Chemical Name:
Benzothiazole, 2-[3-(dibromomethyl)phenyl]-
CAS Number:
142207-86-1
Molecular Formula:
C14H9Br2NS
Molecular Weight:
383.1010
IUPAC Name:
2-[3-(dibromomethyl)phenyl]-1,3-benzothiazole
InChI:
InChI=1S/C14H9Br2NS/c15-13(16)9-4-3-5-10(8-9)14-17-11-6-1-2-7-12(11)18-14/h1-8,13H
InChI Key:
YPAPQHPNXGPMIR-UHFFFAOYSA-N
SMILES:
BrC(c1cccc(c1)c1nc2c(s1)cccc2)Br
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.88g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.101g/mol
Monoisotopic Mass:
380.882g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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