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Home > Boronic Acids > 1035491-05-4
1035491-05-4 | [4-(4-chlorophenoxy)phenyl]boronic acid
CAS No: 1035491-05-4 Catalog No: AG00HA3I MDL No:MFCD13182407
Product Description
Catalog Number:
AG00HA3I
Chemical Name:
[4-(4-chlorophenoxy)phenyl]boronic acid
CAS Number:
1035491-05-4
Molecular Formula:
C12H10BClO3
Molecular Weight:
248.4700
MDL Number:
MFCD13182407
IUPAC Name:
[4-(4-chlorophenoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H10BClO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,15-16H
InChI Key:
KWCZAQAFQKTBBY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Oc1ccc(cc1)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:
248.041g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.469g/mol
Monoisotopic Mass:
248.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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