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Home > Fluorides > 1018690-17-9
1018690-17-9 | Benzenecarbothioic acid, 2,5-difluoro-, hydrazide, hydrochloride (1:1)
CAS No: 1018690-17-9 Catalog No: AG0005SR MDL No:
Product Description
Catalog Number:
AG0005SR
Chemical Name:
Benzenecarbothioic acid, 2,5-difluoro-, hydrazide, hydrochloride (1:1)
CAS Number:
1018690-17-9
Molecular Formula:
C7H7ClF2N2S
Molecular Weight:
224.6587
IUPAC Name:
2,5-difluorobenzenecarbothiohydrazide;hydrochloride
InChI:
InChI=1S/C7H6F2N2S.ClH/c8-4-1-2-6(9)5(3-4)7(12)11-10;/h1-3H,10H2,(H,11,12);1H
InChI Key:
QPJHPKRVJASBSJ-UHFFFAOYSA-N
SMILES:
NNC(=S)c1cc(F)ccc1F.Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.654g/mol
Monoisotopic Mass:
223.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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