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Home > Boronic Acids > 957120-51-3
957120-51-3 | (3-Chloro-5-(methylcarbamoyl)phenyl)boronic acid
CAS No: 957120-51-3 Catalog No: AG005YDB MDL No:MFCD09800856
Product Description
Catalog Number:
AG005YDB
Chemical Name:
(3-Chloro-5-(methylcarbamoyl)phenyl)boronic acid
CAS Number:
957120-51-3
Molecular Formula:
C8H9BClNO3
Molecular Weight:
213.4260
MDL Number:
MFCD09800856
IUPAC Name:
[3-chloro-5-(methylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C8H9BClNO3/c1-11-8(12)5-2-6(9(13)14)4-7(10)3-5/h2-4,13-14H,1H3,(H,11,12)
InChI Key:
XZSSZKPRYZCKDO-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cc(cc(c1)Cl)B(O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.424g/mol
Monoisotopic Mass:
213.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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