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87999-20-0 | Benzo[b]thiophene-2-carboxylic acid, 5-chloro-, hydrazide
CAS No: 87999-20-0 Catalog No: AG004KI9 MDL No:
Product Description
Catalog Number:
AG004KI9
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 5-chloro-, hydrazide
CAS Number:
87999-20-0
Molecular Formula:
C9H7ClN2OS
Molecular Weight:
226.6827
IUPAC Name:
5-chloro-1-benzothiophene-2-carbohydrazide
InChI:
InChI=1S/C9H7ClN2OS/c10-6-1-2-7-5(3-6)4-8(14-7)9(13)12-11/h1-4H,11H2,(H,12,13)
InChI Key:
WAOLRUJWQKXHRP-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc2c(s1)ccc(c2)Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.678g/mol
Monoisotopic Mass:
225.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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