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1303993-91-0 | 4-(4-Bromo-2-difluoromethoxyphenyl)-thiosemicarbazide
CAS No: 1303993-91-0 Catalog No: AG01F888 MDL No:MFCD18379836
Product Description
Catalog Number:
AG01F888
Chemical Name:
4-(4-Bromo-2-difluoromethoxyphenyl)-thiosemicarbazide
CAS Number:
1303993-91-0
Molecular Formula:
C8H8BrF2N3OS
Molecular Weight:
312.1344
MDL Number:
MFCD18379836
IUPAC Name:
1-amino-3-[4-bromo-2-(difluoromethoxy)phenyl]thiourea
InChI:
InChI=1S/C8H8BrF2N3OS/c9-4-1-2-5(13-8(16)14-12)6(3-4)15-7(10)11/h1-3,7H,12H2,(H2,13,14,16)
InChI Key:
WXTGPBNKRBPYEN-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1OC(F)F)Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.954g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
312.133g/mol
Monoisotopic Mass:
310.954g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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