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Home > Bromides > 1094493-45-4
1094493-45-4 | 2-Bromo-4,6-difluorophenylthiourea
CAS No: 1094493-45-4 Catalog No: AG01FE1N MDL No:MFCD11644766
Product Description
Catalog Number:
AG01FE1N
Chemical Name:
2-Bromo-4,6-difluorophenylthiourea
CAS Number:
1094493-45-4
Molecular Formula:
C7H5BrF2N2S
Molecular Weight:
267.0938
MDL Number:
MFCD11644766
IUPAC Name:
(2-bromo-4,6-difluorophenyl)thiourea
InChI:
InChI=1S/C7H5BrF2N2S/c8-4-1-3(9)2-5(10)6(4)12-7(11)13/h1-2H,(H3,11,12,13)
InChI Key:
SIKBDEMKYVRUGS-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1c(F)cc(cc1Br)F
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.932g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.092g/mol
Monoisotopic Mass:
265.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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