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139409-05-5 | 3H-Diazirine, 3-chloro-3-(dichlorophenylmethyl)-
CAS No: 139409-05-5 Catalog No: AG001AZE MDL No:
Product Description
Catalog Number:
AG001AZE
Chemical Name:
3H-Diazirine, 3-chloro-3-(dichlorophenylmethyl)-
CAS Number:
139409-05-5
Molecular Formula:
C8H5Cl3N2
Molecular Weight:
235.4977
IUPAC Name:
3-chloro-3-[dichloro(phenyl)methyl]diazirine
InChI:
InChI=1S/C8H5Cl3N2/c9-7(10,8(11)12-13-8)6-4-2-1-3-5-6/h1-5H
InChI Key:
ISTNFGCQXWECMP-UHFFFAOYSA-N
SMILES:
ClC(C1(Cl)N=N1)(c1ccccc1)Cl
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.952g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.492g/mol
Monoisotopic Mass:
233.952g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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