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Home > Boronic Acids > 1256345-51-3
1256345-51-3 | Boronic acid, B-(2-chloro-3-propoxyphenyl)-
CAS No: 1256345-51-3 Catalog No: AG000O0E MDL No:MFCD16660271
Product Description
Catalog Number:
AG000O0E
Chemical Name:
Boronic acid, B-(2-chloro-3-propoxyphenyl)-
CAS Number:
1256345-51-3
Molecular Formula:
C9H12BClO3
Molecular Weight:
214.4538
MDL Number:
MFCD16660271
IUPAC Name:
(2-chloro-3-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BClO3/c1-2-6-14-8-5-3-4-7(9(8)11)10(12)13/h3-5,12-13H,2,6H2,1H3
InChI Key:
GPEDIOJOGFVJCU-UHFFFAOYSA-N
SMILES:
CCCOc1cccc(c1Cl)B(O)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.452g/mol
Monoisotopic Mass:
214.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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