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27655-37-4 | Propanedinitrile, 2-benzothiazolyl- (9CI)
CAS No: 27655-37-4 Catalog No: AG00CED8 MDL No:
Product Description
Catalog Number:
AG00CED8
Chemical Name:
Propanedinitrile, 2-benzothiazolyl- (9CI)
CAS Number:
27655-37-4
IUPAC Name:
2-(1,3-benzothiazol-2-yl)propanedinitrile
InChI:
InChI=1S/C10H5N3S/c11-5-7(6-12)10-13-8-3-1-2-4-9(8)14-10/h1-4,7H
InChI Key:
RVYWWJOEZJAICQ-UHFFFAOYSA-N
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.231g/mol
Monoisotopic Mass:
199.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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