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Home > Bromides > 1214330-94-5
1214330-94-5 | Benzenemethanol, 2-bromo-3-(trifluoromethyl)-
CAS No: 1214330-94-5 Catalog No: AG0014SA MDL No:MFCD13185396
Product Description
Catalog Number:
AG0014SA
Chemical Name:
Benzenemethanol, 2-bromo-3-(trifluoromethyl)-
CAS Number:
1214330-94-5
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
MDL Number:
MFCD13185396
IUPAC Name:
[2-bromo-3-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H6BrF3O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3,13H,4H2
InChI Key:
RXILCRCVSXPTRR-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1Br)C(F)(F)F
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.034g/mol
Monoisotopic Mass:
253.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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