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296277-26-4 | 2,4-Difluorobenzylthiourea
CAS No: 296277-26-4 Catalog No: AG01EUPA MDL No:MFCD16695916
Product Description
Catalog Number:
AG01EUPA
Chemical Name:
2,4-Difluorobenzylthiourea
CAS Number:
296277-26-4
Molecular Formula:
C8H8F2N2S
Molecular Weight:
202.2243
MDL Number:
MFCD16695916
IUPAC Name:
(2,4-difluorophenyl)methylthiourea
InChI:
InChI=1S/C8H8F2N2S/c9-6-2-1-5(7(10)3-6)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChI Key:
CQIXAUYAPDRTEW-UHFFFAOYSA-N
SMILES:
NC(=S)NCc1ccc(cc1F)F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.223g/mol
Monoisotopic Mass:
202.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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