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130560-97-3 | Benzenecarbothioamide, 3-chloro-4-fluoro-
CAS No: 130560-97-3 Catalog No: AG000UMB MDL No:MFCD00042478
Product Description
Catalog Number:
AG000UMB
Chemical Name:
Benzenecarbothioamide, 3-chloro-4-fluoro-
CAS Number:
130560-97-3
Molecular Formula:
C7H5ClFNS
Molecular Weight:
189.6377
MDL Number:
MFCD00042478
IUPAC Name:
3-chloro-4-fluorobenzenecarbothioamide
InChI:
InChI=1S/C7H5ClFNS/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChI Key:
RSGPCKCTKDCMRR-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(c(c1)Cl)F
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.982g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.632g/mol
Monoisotopic Mass:
188.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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