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Home > Boronic Acids > 1072952-12-5
1072952-12-5 | 2,4-DICHLORO-5-NITROPHENYLBORONIC ACID
CAS No: 1072952-12-5 Catalog No: AG008S74 MDL No:MFCD03095325
Product Description
Catalog Number:
AG008S74
Chemical Name:
2,4-DICHLORO-5-NITROPHENYLBORONIC ACID
CAS Number:
1072952-12-5
Molecular Formula:
C6H4BCl2NO4
Molecular Weight:
235.8173
MDL Number:
MFCD03095325
IUPAC Name:
(2,4-dichloro-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H4BCl2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2,11-12H
InChI Key:
QZUUWAWNYJMANP-UHFFFAOYSA-N
SMILES:
OB(c1cc([N+](=O)[O-])c(cc1Cl)Cl)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:
234.961g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.811g/mol
Monoisotopic Mass:
234.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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