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Home > Bromides > 1227955-26-1
1227955-26-1 | 4-Bromo-2-(trifluoromethoxy)phenylthiourea
CAS No: 1227955-26-1 Catalog No: AG01FB6R MDL No:MFCD11109537
Product Description
Catalog Number:
AG01FB6R
Chemical Name:
4-Bromo-2-(trifluoromethoxy)phenylthiourea
CAS Number:
1227955-26-1
Molecular Formula:
C8H6BrF3N2OS
Molecular Weight:
315.1102
MDL Number:
MFCD11109537
IUPAC Name:
[4-bromo-2-(trifluoromethoxy)phenyl]thiourea
InChI:
InChI=1S/C8H6BrF3N2OS/c9-4-1-2-5(14-7(13)16)6(3-4)15-8(10,11)12/h1-3H,(H3,13,14,16)
InChI Key:
ZJWNTERKPUTWDS-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(cc1OC(F)(F)F)Br
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.934g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.108g/mol
Monoisotopic Mass:
313.934g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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