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Home > Boronic Acids > 1218790-61-4
1218790-61-4 | Boronic acid, B-(3,5-dichloro-4-propoxyphenyl)-
CAS No: 1218790-61-4 Catalog No: AG00169J MDL No:MFCD15143465
Product Description
Catalog Number:
AG00169J
Chemical Name:
Boronic acid, B-(3,5-dichloro-4-propoxyphenyl)-
CAS Number:
1218790-61-4
Molecular Formula:
C9H11BCl2O3
Molecular Weight:
248.8988
MDL Number:
MFCD15143465
IUPAC Name:
(3,5-dichloro-4-propoxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BCl2O3/c1-2-3-15-9-7(11)4-6(10(13)14)5-8(9)12/h4-5,13-14H,2-3H2,1H3
InChI Key:
GXOBEFMWCPTAAN-UHFFFAOYSA-N
SMILES:
CCCOc1c(Cl)cc(cc1Cl)B(O)O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.894g/mol
Monoisotopic Mass:
248.018g/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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