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944805-63-4 | 4-Bromo-2-methoxybenzotrifluoride
CAS No: 944805-63-4 Catalog No: AG0033XL MDL No:MFCD13194486
Product Description
Catalog Number:
AG0033XL
Chemical Name:
4-Bromo-2-methoxybenzotrifluoride
CAS Number:
944805-63-4
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
MDL Number:
MFCD13194486
IUPAC Name:
4-bromo-2-methoxy-1-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6BrF3O/c1-13-7-4-5(9)2-3-6(7)8(10,11)12/h2-4H,1H3
InChI Key:
SNOPVNVACJOOAY-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccc1C(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:
0
Isotope Atom Count:
0
Molecular Weight:
255.034g/mol
Monoisotopic Mass:
253.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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