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174079-72-2 | Benzothiazole, 2-methyl-5-(1H-pyrrol-1-yl)- (9CI)
CAS No: 174079-72-2 Catalog No: AG00BA9B MDL No:
Product Description
Catalog Number:
AG00BA9B
Chemical Name:
Benzothiazole, 2-methyl-5-(1H-pyrrol-1-yl)- (9CI)
CAS Number:
174079-72-2
IUPAC Name:
2-methyl-5-pyrrol-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C12H10N2S/c1-9-13-11-8-10(4-5-12(11)15-9)14-6-2-3-7-14/h2-8H,1H3
InChI Key:
FBMZDTXZLFXEBP-UHFFFAOYSA-N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.286g/mol
Monoisotopic Mass:
214.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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