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Home > Boronic Acids > 1430237-54-9
1430237-54-9 | 4-Chloro-3-(hydroxymethyl)phenylboronic acid
CAS No: 1430237-54-9 Catalog No: AG00HWS2 MDL No:MFCD28122667
Product Description
Catalog Number:
AG00HWS2
Chemical Name:
4-Chloro-3-(hydroxymethyl)phenylboronic acid
CAS Number:
1430237-54-9
Molecular Formula:
C7H8BClO3
Molecular Weight:
186.4006
MDL Number:
MFCD28122667
IUPAC Name:
[4-chloro-3-(hydroxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H8BClO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,10-12H,4H2
InChI Key:
QYYROAZVVUGRER-UHFFFAOYSA-N
SMILES:
OCc1cc(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:
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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