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Home > Boronic Acids > 175883-61-1
175883-61-1 | Boronic acid, B-(3,5-dichloro-4-methoxyphenyl)-
CAS No: 175883-61-1 Catalog No: AG00219D MDL No:MFCD04039018
Product Description
Catalog Number:
AG00219D
Chemical Name:
Boronic acid, B-(3,5-dichloro-4-methoxyphenyl)-
CAS Number:
175883-61-1
Molecular Formula:
C7H7BCl2O3
Molecular Weight:
220.8457
MDL Number:
MFCD04039018
IUPAC Name:
(3,5-dichloro-4-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H7BCl2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,11-12H,1H3
InChI Key:
JHCLSOGJYUVJNQ-UHFFFAOYSA-N
SMILES:
COc1c(Cl)cc(cc1Cl)B(O)O
Properties
Complexity:
158
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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