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Home > Boronic Acids > 1003042-59-8
1003042-59-8 | Boronic acid, B-[2-chloro-5-(hydroxymethyl)phenyl]-
CAS No: 1003042-59-8 Catalog No: AG0001JP MDL No:MFCD06659858
Product Description
Catalog Number:
AG0001JP
Chemical Name:
Boronic acid, B-[2-chloro-5-(hydroxymethyl)phenyl]-
CAS Number:
1003042-59-8
Molecular Formula:
C7H8BClO3
Molecular Weight:
186.4006
MDL Number:
MFCD06659858
IUPAC Name:
[2-chloro-5-(hydroxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H8BClO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,10-12H,4H2
InChI Key:
OMQUJFBGPRFTIO-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)B(O)O)Cl
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:
3
Isotope Atom Count:
0
Molecular Weight:
186.398g/mol
Monoisotopic Mass:
186.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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