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141600-24-0 | Benzene, 1-azido-4-(1,3-butadiyn-1-yl)-
CAS No: 141600-24-0 Catalog No: AG001GOB MDL No:
Product Description
Catalog Number:
AG001GOB
Chemical Name:
Benzene, 1-azido-4-(1,3-butadiyn-1-yl)-
CAS Number:
141600-24-0
Molecular Formula:
C10H5N3
Molecular Weight:
167.1668
IUPAC Name:
1-azido-4-buta-1,3-diynylbenzene
InChI:
InChI=1S/C10H5N3/c1-2-3-4-9-5-7-10(8-6-9)12-13-11/h1,5-8H
InChI Key:
CPXNUJCNGKIENX-UHFFFAOYSA-N
SMILES:
C#CC#Cc1ccc(cc1)N=[N+]=[N-]
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.171g/mol
Monoisotopic Mass:
167.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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