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Home > Boronic Acids > 913835-94-6
913835-94-6 | 2-CHLORO-4-(ETHOXYCARBONYL)BENZENEBORONIC ACID 98
CAS No: 913835-94-6 Catalog No: AG00GSYD MDL No:MFCD08689531
Product Description
Catalog Number:
AG00GSYD
Chemical Name:
2-CHLORO-4-(ETHOXYCARBONYL)BENZENEBORONIC ACID 98
CAS Number:
913835-94-6
Molecular Formula:
C9H10BClO4
Molecular Weight:
228.4373
MDL Number:
MFCD08689531
IUPAC Name:
(2-chloro-4-ethoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C9H10BClO4/c1-2-15-9(12)6-3-4-7(10(13)14)8(11)5-6/h3-5,13-14H,2H2,1H3
InChI Key:
JVVJLOYYNCABND-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)Cl)B(O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.435g/mol
Monoisotopic Mass:
228.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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