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187795-63-7 | 2H-Azirine, 3-(3-methylphenyl)-
CAS No: 187795-63-7 Catalog No: AG002GHM MDL No:
Product Description
Catalog Number:
AG002GHM
Chemical Name:
2H-Azirine, 3-(3-methylphenyl)-
CAS Number:
187795-63-7
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
IUPAC Name:
3-(3-methylphenyl)-2H-azirine
InChI:
InChI=1S/C9H9N/c1-7-3-2-4-8(5-7)9-6-10-9/h2-5H,6H2,1H3
InChI Key:
ITJKAVYNAFEJTH-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C1=NC1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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