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1450754-38-7 | 3-(but-3-yn-1-yl)-3-(2-iodoethyl)-3H-diazirine
CAS No: 1450754-38-7 Catalog No: AG00AQXB MDL No:MFCD29918289
Product Description
Catalog Number:
AG00AQXB
Chemical Name:
3-(but-3-yn-1-yl)-3-(2-iodoethyl)-3H-diazirine
CAS Number:
1450754-38-7
Molecular Formula:
C7H9IN2
Molecular Weight:
248.0642
MDL Number:
MFCD29918289
IUPAC Name:
3-but-3-ynyl-3-(2-iodoethyl)diazirine
InChI:
InChI=1S/C7H9IN2/c1-2-3-4-7(5-6-8)9-10-7/h1H,3-6H2
InChI Key:
XKVWLCIADFSFAP-UHFFFAOYSA-N
SMILES:
ICCC1(CCC#C)N=N1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.067g/mol
Monoisotopic Mass:
247.981g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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