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28249-49-2 | 3,5-DINITRO-4-METHYLBENZENEBORONIC ACID
CAS No: 28249-49-2 Catalog No: AG003IPD MDL No:
Product Description
Catalog Number:
AG003IPD
Chemical Name:
3,5-DINITRO-4-METHYLBENZENEBORONIC ACID
CAS Number:
28249-49-2
IUPAC Name:
(4-methyl-3,5-dinitrophenyl)boronic acid
InChI:
InChI=1S/C7H7BN2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3,11-12H,1H3
InChI Key:
DTWIWVTWNMEZOL-UHFFFAOYSA-N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.951g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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