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Home > Boronic Acids > 1218790-62-5
1218790-62-5 | Boronic acid, B-[3,5-dichloro-4-(1-methylethoxy)phenyl]-
CAS No: 1218790-62-5 Catalog No: AG00169I MDL No:MFCD15143466
Product Description
Catalog Number:
AG00169I
Chemical Name:
Boronic acid, B-[3,5-dichloro-4-(1-methylethoxy)phenyl]-
CAS Number:
1218790-62-5
Molecular Formula:
C9H11BCl2O3
Molecular Weight:
248.8988
MDL Number:
MFCD15143466
IUPAC Name:
(3,5-dichloro-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BCl2O3/c1-5(2)15-9-7(11)3-6(10(13)14)4-8(9)12/h3-5,13-14H,1-2H3
InChI Key:
OTEROWRZDFNANP-UHFFFAOYSA-N
SMILES:
OB(c1cc(Cl)c(c(c1)Cl)OC(C)C)O
Properties
Complexity:
192
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:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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