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Home > Boronic Acids > 153122-60-2
153122-60-2 | (4-Chloro-2-fluoro-5-methoxyphenyl);boronic acid
CAS No: 153122-60-2 Catalog No: AG007J8C MDL No:MFCD12912365
Product Description
Catalog Number:
AG007J8C
Chemical Name:
(4-Chloro-2-fluoro-5-methoxyphenyl);boronic acid
CAS Number:
153122-60-2
Molecular Formula:
C7H7BClFO3
Molecular Weight:
204.3911
MDL Number:
MFCD12912365
IUPAC Name:
(4-chloro-2-fluoro-5-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BClFO3/c1-13-7-2-4(8(11)12)6(10)3-5(7)9/h2-3,11-12H,1H3
InChI Key:
GCQRPPPUHXEHJO-UHFFFAOYSA-N
SMILES:
COc1cc(B(O)O)c(cc1Cl)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.388g/mol
Monoisotopic Mass:
204.016g/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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