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Home > Boronic Acids > 944128-90-9
944128-90-9 | 2,4-dichloro-3-methoxyphenylboronic acid
CAS No: 944128-90-9 Catalog No: AG0036OX MDL No:MFCD10699638
Product Description
Catalog Number:
AG0036OX
Chemical Name:
2,4-dichloro-3-methoxyphenylboronic acid
CAS Number:
944128-90-9
Molecular Formula:
C7H7BCl2O3
Molecular Weight:
220.8457
MDL Number:
MFCD10699638
IUPAC Name:
(2,4-dichloro-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BCl2O3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3,11-12H,1H3
InChI Key:
MXEDURITVCMIOA-UHFFFAOYSA-N
SMILES:
COc1c(Cl)ccc(c1Cl)B(O)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.987g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.84g/mol
Monoisotopic Mass:
219.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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