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66730-42-5 | Benzothiazole, 2-(1-propenyl)-, (Z)- (9CI)
CAS No: 66730-42-5 Catalog No: AG00FJWC MDL No:
Product Description
Catalog Number:
AG00FJWC
Chemical Name:
Benzothiazole, 2-(1-propenyl)-, (Z)- (9CI)
CAS Number:
66730-42-5
IUPAC Name:
2-[(Z)-prop-1-enyl]-1,3-benzothiazole
InChI:
InChI=1S/C10H9NS/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h2-7H,1H3/b5-2-
InChI Key:
QLIMKQNGGOYBRL-DJWKRKHSSA-N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
175.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.249g/mol
Monoisotopic Mass:
175.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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