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Home > Boronic Acids > 89694-47-3
89694-47-3 | (4-Chloro-3-methoxyphenyl);boronic acid
CAS No: 89694-47-3 Catalog No: AG004393 MDL No:MFCD01318965
Product Description
Catalog Number:
AG004393
Chemical Name:
(4-Chloro-3-methoxyphenyl);boronic acid
CAS Number:
89694-47-3
Molecular Formula:
C7H8BClO3
Molecular Weight:
186.4006
MDL Number:
MFCD01318965
IUPAC Name:
(4-chloro-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H8BClO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3
InChI Key:
DZNNRXURZJLARZ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Cl)B(O)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.398g/mol
Monoisotopic Mass:
186.026g/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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