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88211-05-6 | 3H-Diazirine, 3-chloro-3-(phenylmethyl)-
CAS No: 88211-05-6 Catalog No: AG004BY5 MDL No:
Product Description
Catalog Number:
AG004BY5
Chemical Name:
3H-Diazirine, 3-chloro-3-(phenylmethyl)-
CAS Number:
88211-05-6
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
IUPAC Name:
3-benzyl-3-chlorodiazirine
InChI:
InChI=1S/C8H7ClN2/c9-8(10-11-8)6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
NUDJGAWXSCLOBI-UHFFFAOYSA-N
SMILES:
ClC1(N=N1)Cc1ccccc1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.608g/mol
Monoisotopic Mass:
166.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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