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1263377-76-9 | 3-Difluoromethoxyphenylthiourea
CAS No: 1263377-76-9 Catalog No: AG01FEV1 MDL No:MFCD18379839
Product Description
Catalog Number:
AG01FEV1
Chemical Name:
3-Difluoromethoxyphenylthiourea
CAS Number:
1263377-76-9
Molecular Formula:
C8H8F2N2OS
Molecular Weight:
218.2237
MDL Number:
MFCD18379839
IUPAC Name:
[3-(difluoromethoxy)phenyl]thiourea
InChI:
InChI=1S/C8H8F2N2OS/c9-7(10)13-6-3-1-2-5(4-6)12-8(11)14/h1-4,7H,(H3,11,12,14)
InChI Key:
KKBVWZKSFQMUKR-UHFFFAOYSA-N
SMILES:
FC(Oc1cccc(c1)NC(=S)N)F
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.222g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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