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252004-34-5 | Benzenemethanol, 4-bromo-2,3,6-trifluoro-
CAS No: 252004-34-5 Catalog No: AG002QVI MDL No:MFCD03094469
Product Description
Catalog Number:
AG002QVI
Chemical Name:
Benzenemethanol, 4-bromo-2,3,6-trifluoro-
CAS Number:
252004-34-5
Molecular Formula:
C7H4BrF3O
Molecular Weight:
241.0053
MDL Number:
MFCD03094469
IUPAC Name:
(4-bromo-2,3,6-trifluorophenyl)methanol
InChI:
InChI=1S/C7H4BrF3O/c8-4-1-5(9)3(2-12)6(10)7(4)11/h1,12H,2H2
InChI Key:
CJGOKVYRNUALRJ-UHFFFAOYSA-N
SMILES:
OCc1c(F)cc(c(c1F)F)Br
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.007g/mol
Monoisotopic Mass:
239.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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