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13749-89-8 | Benzenecarbothioamide, 4-chloro-N-hydroxy-
CAS No: 13749-89-8 Catalog No: AG0013D2 MDL No:
Product Description
Catalog Number:
AG0013D2
Chemical Name:
Benzenecarbothioamide, 4-chloro-N-hydroxy-
CAS Number:
13749-89-8
Molecular Formula:
C7H6ClNOS
Molecular Weight:
187.6466
IUPAC Name:
4-chloro-N-hydroxybenzenecarbothioamide
InChI:
InChI=1S/C7H6ClNOS/c8-6-3-1-5(2-4-6)7(11)9-10/h1-4,10H,(H,9,11)
InChI Key:
RCNXMYIEZCOGTI-UHFFFAOYSA-N
SMILES:
ONC(=S)c1ccc(cc1)Cl
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.986g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.641g/mol
Monoisotopic Mass:
186.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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