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Home > Boronic Acids > 849062-29-9
849062-29-9 | (5-Chloro-2-propoxyphenyl)boronic acid
CAS No: 849062-29-9 Catalog No: AG003MNU MDL No:MFCD06411348
Product Description
Catalog Number:
AG003MNU
Chemical Name:
(5-Chloro-2-propoxyphenyl)boronic acid
CAS Number:
849062-29-9
Molecular Formula:
C9H12BClO3
Molecular Weight:
214.4538
MDL Number:
MFCD06411348
IUPAC Name:
(5-chloro-2-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BClO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6,12-13H,2,5H2,1H3
InChI Key:
FZDSWPMDXOYUBB-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1B(O)O)Cl
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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