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Home > Boronic Acids > 1793003-79-8
1793003-79-8 | 3-Butoxy-5-chloro-4-isopropoxyphenylboronic acid
CAS No: 1793003-79-8 Catalog No: AG00HZY1 MDL No:MFCD21332928
Product Description
Catalog Number:
AG00HZY1
Chemical Name:
3-Butoxy-5-chloro-4-isopropoxyphenylboronic acid
CAS Number:
1793003-79-8
Molecular Formula:
C13H20BClO4
Molecular Weight:
286.5595
MDL Number:
MFCD21332928
IUPAC Name:
(3-butoxy-5-chloro-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C13H20BClO4/c1-4-5-6-18-12-8-10(14(16)17)7-11(15)13(12)19-9(2)3/h7-9,16-17H,4-6H2,1-3H3
InChI Key:
WYLGFMBTFBBDOZ-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(cc(c1OC(C)C)Cl)B(O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.559g/mol
Monoisotopic Mass:
286.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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