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Home > Boronic Acids > 919496-57-4
919496-57-4 | (3-Chloro-4-hydroxy-5-methoxyphenyl);boronic acid
CAS No: 919496-57-4 Catalog No: AG003BRV MDL No:MFCD15143481
Product Description
Catalog Number:
AG003BRV
Chemical Name:
(3-Chloro-4-hydroxy-5-methoxyphenyl);boronic acid
CAS Number:
919496-57-4
Molecular Formula:
C7H8BClO4
Molecular Weight:
202.4000
MDL Number:
MFCD15143481
IUPAC Name:
(3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H8BClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10-12H,1H3
InChI Key:
MHYWXPHADPZFNA-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)Cl)B(O)O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.397g/mol
Monoisotopic Mass:
202.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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