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Home > Boronic Acids > 603122-80-1
603122-80-1 | Methyl 4-borono-3-chlorobenzoate
CAS No: 603122-80-1 Catalog No: AG00EB41 MDL No:MFCD08689530
Product Description
Catalog Number:
AG00EB41
Chemical Name:
Methyl 4-borono-3-chlorobenzoate
CAS Number:
603122-80-1
Molecular Formula:
C8H8BClO4
Molecular Weight:
214.4107
MDL Number:
MFCD08689530
IUPAC Name:
(2-chloro-4-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BClO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3
InChI Key:
ITEQHBSWRMYSRP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Cl)B(O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.408g/mol
Monoisotopic Mass:
214.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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