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Home > Boronic Acids > 325786-09-2
325786-09-2 | 4-CHLORO-2-FLUORO-5-METHYLPHENYLBORONIC ACID
CAS No: 325786-09-2 Catalog No: AG007F9L MDL No:MFCD23379589
Product Description
Catalog Number:
AG007F9L
Chemical Name:
4-CHLORO-2-FLUORO-5-METHYLPHENYLBORONIC ACID
CAS Number:
325786-09-2
Molecular Formula:
C7H7BClFO2
Molecular Weight:
188.3917
MDL Number:
MFCD23379589
IUPAC Name:
(4-chloro-2-fluoro-5-methylphenyl)boronic acid
InChI:
InChI=1S/C7H7BClFO2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3,11-12H,1H3
InChI Key:
JCYUEORYFOUSCZ-UHFFFAOYSA-N
SMILES:
OB(c1cc(C)c(cc1F)Cl)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.021g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.389g/mol
Monoisotopic Mass:
188.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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