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Home > Boronic Acids > 1793003-64-1
1793003-64-1 | 3-Chloro-4,5-diisopropoxyphenylboronic acid
CAS No: 1793003-64-1 Catalog No: AG00HZXV MDL No:MFCD21332929
Product Description
Catalog Number:
AG00HZXV
Chemical Name:
3-Chloro-4,5-diisopropoxyphenylboronic acid
CAS Number:
1793003-64-1
Molecular Formula:
C12H18BClO4
Molecular Weight:
272.5329
MDL Number:
MFCD21332929
IUPAC Name:
[3-chloro-4,5-di(propan-2-yloxy)phenyl]boronic acid
InChI:
InChI=1S/C12H18BClO4/c1-7(2)17-11-6-9(13(15)16)5-10(14)12(11)18-8(3)4/h5-8,15-16H,1-4H3
InChI Key:
XLBDNXHYKMPCQU-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(cc(c1OC(C)C)Cl)B(O)O)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.532g/mol
Monoisotopic Mass:
272.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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