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113698-67-2 | 3H-Diazirine, 3-azido-3-phenyl-
CAS No: 113698-67-2 Catalog No: AG0009CX MDL No:
Product Description
Catalog Number:
AG0009CX
Chemical Name:
3H-Diazirine, 3-azido-3-phenyl-
CAS Number:
113698-67-2
Molecular Formula:
C7H5N5
Molecular Weight:
159.1481
IUPAC Name:
3-azido-3-phenyldiazirine
InChI:
InChI=1S/C7H5N5/c8-12-11-7(9-10-7)6-4-2-1-3-5-6/h1-5H
InChI Key:
PFSMWFOHBFUSFZ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC1(N=N1)c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.152g/mol
Monoisotopic Mass:
159.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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