Home Other Building Blocks Benzene, 1-fluoro-2-methoxy-4-(trifluoromethyl)-

Benzene, 1-fluoro-2-methoxy-4-(trifluoromethyl)-

CAS No.:
261951-78-4
Catalog Number:
AG002S6L
Molecular Formula:
C8H6F4O
Molecular Weight:
194.1263
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Product Description
Catalog Number:
AG002S6L
Chemical Name:
Benzene, 1-fluoro-2-methoxy-4-(trifluoromethyl)-
CAS Number:
261951-78-4
Molecular Formula:
C8H6F4O
Molecular Weight:
194.1263
MDL Number:
MFCD01631564
IUPAC Name:
1-fluoro-2-methoxy-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F4O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3
InChI Key:
AXEAQZIYCQTHQV-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1F)C(F)(F)F
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.129g/mol
Monoisotopic Mass:
194.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties