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88437-12-1 | Benzonitrile, 2-(2,3-dihydro-2-benzothiazolyl)-
CAS No: 88437-12-1 Catalog No: AG004JZB MDL No:
Product Description
Catalog Number:
AG004JZB
Chemical Name:
Benzonitrile, 2-(2,3-dihydro-2-benzothiazolyl)-
CAS Number:
88437-12-1
Molecular Formula:
C14H10N2S
Molecular Weight:
238.3076
IUPAC Name:
2-(2,3-dihydro-1,3-benzothiazol-2-yl)benzonitrile
InChI:
InChI=1S/C14H10N2S/c15-9-10-5-1-2-6-11(10)14-16-12-7-3-4-8-13(12)17-14/h1-8,14,16H
InChI Key:
AEZDIIHTKPXFOT-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C1Nc2c(S1)cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.308g/mol
Monoisotopic Mass:
238.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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