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Home > Boronic Acids > 918810-94-3
918810-94-3 | 4-CHLORO-3-ETHYLPHENYLBORONIC ACID
CAS No: 918810-94-3 Catalog No: AG00H1UR MDL No:MFCD10566599
Product Description
Catalog Number:
AG00H1UR
Chemical Name:
4-CHLORO-3-ETHYLPHENYLBORONIC ACID
CAS Number:
918810-94-3
Molecular Formula:
C8H10BClO2
Molecular Weight:
184.4278
MDL Number:
MFCD10566599
IUPAC Name:
(4-chloro-3-ethylphenyl)boronic acid
InChI:
InChI=1S/C8H10BClO2/c1-2-6-5-7(9(11)12)3-4-8(6)10/h3-5,11-12H,2H2,1H3
InChI Key:
ZFQZOBHIZWUBEZ-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1Cl)B(O)O
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.426g/mol
Monoisotopic Mass:
184.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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