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895525-11-8 | Benzo[d]thiazole-7-carbonitrile
CAS No: 895525-11-8 Catalog No: AG003YD5 MDL No:MFCD22571510
Product Description
Catalog Number:
AG003YD5
Chemical Name:
Benzo[d]thiazole-7-carbonitrile
CAS Number:
895525-11-8
Molecular Formula:
C8H4N2S
Molecular Weight:
160.1958
MDL Number:
MFCD22571510
IUPAC Name:
1,3-benzothiazole-7-carbonitrile
InChI:
InChI=1S/C8H4N2S/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3,5H
InChI Key:
KMPZMAOXBUTHGS-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1scn2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.194g/mol
Monoisotopic Mass:
160.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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