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Home > Boronic Acids > 1004775-33-0
1004775-33-0 | Boronic acid, B-[3-methoxy-4-(trifluoromethyl)phenyl]-
CAS No: 1004775-33-0 Catalog No: AG00022M MDL No:MFCD13194426
Product Description
Catalog Number:
AG00022M
Chemical Name:
Boronic acid, B-[3-methoxy-4-(trifluoromethyl)phenyl]-
CAS Number:
1004775-33-0
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD13194426
IUPAC Name:
[3-methoxy-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BF3O3/c1-15-7-4-5(9(13)14)2-3-6(7)8(10,11)12/h2-4,13-14H,1H3
InChI Key:
UHOZSZGYFBEVBA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(F)(F)F)B(O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.954g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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