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7267-31-4 | 2-Benzothiazolecarbonitrile,4-hydroxy-(7CI,8CI)
CAS No: 7267-31-4 Catalog No: AG00FFF0 MDL No:MFCD18415935
Product Description
Catalog Number:
AG00FFF0
Chemical Name:
2-Benzothiazolecarbonitrile,4-hydroxy-(7CI,8CI)
CAS Number:
7267-31-4
Molecular Formula:
C8H4N2OS
Molecular Weight:
176.1952
MDL Number:
MFCD18415935
IUPAC Name:
4-hydroxy-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C8H4N2OS/c9-4-7-10-8-5(11)2-1-3-6(8)12-7/h1-3,11H
InChI Key:
OYTOVORTBXNLBB-UHFFFAOYSA-N
SMILES:
N#Cc1sc2c(n1)c(O)ccc2
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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