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7267-38-1 | 5-Hydroxybenzo[d]thiazole-2-carbonitrile
CAS No: 7267-38-1 Catalog No: AG0062TZ MDL No:MFCD18415936
Product Description
Catalog Number:
AG0062TZ
Chemical Name:
5-Hydroxybenzo[d]thiazole-2-carbonitrile
CAS Number:
7267-38-1
Molecular Formula:
C8H4N2OS
Molecular Weight:
176.1952
MDL Number:
MFCD18415936
IUPAC Name:
5-hydroxy-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C8H4N2OS/c9-4-8-10-6-3-5(11)1-2-7(6)12-8/h1-3,11H
InChI Key:
DTXINWSDUBHXMK-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(s1)ccc(c2)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.193g/mol
Monoisotopic Mass:
176.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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