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Home Boronic acids (2-Chloro-4-methoxy-5-(methoxycarbonyl)phenyl)boronic acid

(2-Chloro-4-methoxy-5-(methoxycarbonyl)phenyl)boronic acid

CAS No.:
957066-07-8
Catalog Number:
AG003BMO
Molecular Formula:
C9H10BClO5
Molecular Weight:
244.4367
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Product Description
Catalog Number:
AG003BMO
Chemical Name:
(2-Chloro-4-methoxy-5-(methoxycarbonyl)phenyl)boronic acid
CAS Number:
957066-07-8
Molecular Formula:
C9H10BClO5
Molecular Weight:
244.4367
IUPAC Name:
(2-chloro-4-methoxy-5-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C9H10BClO5/c1-15-8-4-7(11)6(10(13)14)3-5(8)9(12)16-2/h3-4,13-14H,1-2H3
InChI Key:
ZIGSNYKPLGZLDR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(B(O)O)c(cc1OC)Cl
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.434g/mol
Monoisotopic Mass:
244.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties