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Home > Boronic Acids > 431942-67-5
431942-67-5 | 2,4-Dichloro-5-methoxyphenylboronic acid
CAS No: 431942-67-5 Catalog No: AG00DIWA MDL No:MFCD12546454
Product Description
Catalog Number:
AG00DIWA
Chemical Name:
2,4-Dichloro-5-methoxyphenylboronic acid
CAS Number:
431942-67-5
Molecular Formula:
C7H7BCl2O3
Molecular Weight:
220.8457
MDL Number:
MFCD12546454
IUPAC Name:
(2,4-dichloro-5-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BCl2O3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3,11-12H,1H3
InChI Key:
RNRFSHDFAVUELD-UHFFFAOYSA-N
SMILES:
COc1cc(B(O)O)c(cc1Cl)Cl
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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