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Home > Boronic Acids > 1135992-31-2
1135992-31-2 | Boronic acid, B-[2-chloro-4-(methoxymethoxy)phenyl]-
CAS No: 1135992-31-2 Catalog No: AG000931 MDL No:MFCD22056737
Product Description
Catalog Number:
AG000931
Chemical Name:
Boronic acid, B-[2-chloro-4-(methoxymethoxy)phenyl]-
CAS Number:
1135992-31-2
Molecular Formula:
C8H10BClO4
Molecular Weight:
216.4266
MDL Number:
MFCD22056737
IUPAC Name:
[2-chloro-4-(methoxymethoxy)phenyl]boronic acid
InChI:
InChI=1S/C8H10BClO4/c1-13-5-14-6-2-3-7(9(11)12)8(10)4-6/h2-4,11-12H,5H2,1H3
InChI Key:
PEGAMAHZAZSGFS-UHFFFAOYSA-N
SMILES:
COCOc1ccc(c(c1)Cl)B(O)O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.424g/mol
Monoisotopic Mass:
216.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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