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Home > Boronic Acids > 874460-05-6
874460-05-6 | (4-((2-Chloroethyl);carbamoyl);phenyl);boronic acid
CAS No: 874460-05-6 Catalog No: AG004FUK MDL No:MFCD08436019
Product Description
Catalog Number:
AG004FUK
Chemical Name:
(4-((2-Chloroethyl);carbamoyl);phenyl);boronic acid
CAS Number:
874460-05-6
Molecular Formula:
C9H11BClNO3
Molecular Weight:
227.4525
MDL Number:
MFCD08436019
IUPAC Name:
[4-(2-chloroethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BClNO3/c11-5-6-12-9(13)7-1-3-8(4-2-7)10(14)15/h1-4,14-15H,5-6H2,(H,12,13)
InChI Key:
VQLHHAJGSFUYCS-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.451g/mol
Monoisotopic Mass:
227.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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