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119720-88-6 | 2-Butyne, 1-azido-4-chloro-
CAS No: 119720-88-6 Catalog No: AG000PJY MDL No:
Product Description
Catalog Number:
AG000PJY
Chemical Name:
2-Butyne, 1-azido-4-chloro-
CAS Number:
119720-88-6
Molecular Formula:
C4H4ClN3
Molecular Weight:
129.5477
IUPAC Name:
1-azido-4-chlorobut-2-yne
InChI:
InChI=1S/C4H4ClN3/c5-3-1-2-4-7-8-6/h3-4H2
InChI Key:
VWIKZXUFHHWLKD-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCC#CCCl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.009g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.547g/mol
Monoisotopic Mass:
129.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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