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Home > Boronic Acids > 943831-11-6
943831-11-6 | (2-chloro-4-fluoro-3-methoxyphenyl)boronic acid
CAS No: 943831-11-6 Catalog No: AG00II4B MDL No:MFCD23379545
Product Description
Catalog Number:
AG00II4B
Chemical Name:
(2-chloro-4-fluoro-3-methoxyphenyl)boronic acid
CAS Number:
943831-11-6
Molecular Formula:
C7H7BClFO3
Molecular Weight:
204.3911
MDL Number:
MFCD23379545
IUPAC Name:
(2-chloro-4-fluoro-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BClFO3/c1-13-7-5(10)3-2-4(6(7)9)8(11)12/h2-3,11-12H,1H3
InChI Key:
JJCNIMMFMDOIAR-UHFFFAOYSA-N
SMILES:
COc1c(F)ccc(c1Cl)B(O)O
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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