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72437-42-4 | Hydroperoxide, [(4-bromophenyl)azo]phenylmethyl
CAS No: 72437-42-4 Catalog No: AG005HKQ MDL No:
Product Description
Catalog Number:
AG005HKQ
Chemical Name:
Hydroperoxide, [(4-bromophenyl)azo]phenylmethyl
CAS Number:
72437-42-4
Molecular Formula:
C13H11BrN2O2
Molecular Weight:
307.1426
IUPAC Name:
(4-bromophenyl)-[hydroperoxy(phenyl)methyl]diazene
InChI:
InChI=1S/C13H11BrN2O2/c14-11-6-8-12(9-7-11)15-16-13(18-17)10-4-2-1-3-5-10/h1-9,13,17H
InChI Key:
JXBDZNGGQLDTRU-UHFFFAOYSA-N
SMILES:
OOC(c1ccccc1)N=Nc1ccc(cc1)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.147g/mol
Monoisotopic Mass:
306g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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