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399004-72-9 | Benzothiazole, 2-(3,4-dihydro-2H-pyrrol-2-yl)- (9CI)
CAS No: 399004-72-9 Catalog No: AG00CIEE MDL No:
Product Description
Catalog Number:
AG00CIEE
Chemical Name:
Benzothiazole, 2-(3,4-dihydro-2H-pyrrol-2-yl)- (9CI)
CAS Number:
399004-72-9
IUPAC Name:
2-(3,4-dihydro-2H-pyrrol-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C11H10N2S/c1-2-6-10-8(4-1)13-11(14-10)9-5-3-7-12-9/h1-2,4,6-7,9H,3,5H2
InChI Key:
XBGIJRUYUQHEKX-UHFFFAOYSA-N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.275g/mol
Monoisotopic Mass:
202.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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