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88961-97-1 | 2-Thiophenecarboxylic acid, 5-(3-azidobutyl)-
CAS No: 88961-97-1 Catalog No: AG0046DF MDL No:
Product Description
Catalog Number:
AG0046DF
Chemical Name:
2-Thiophenecarboxylic acid, 5-(3-azidobutyl)-
CAS Number:
88961-97-1
Molecular Formula:
C9H11N3O2S
Molecular Weight:
225.2675
IUPAC Name:
5-(3-azidobutyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C9H11N3O2S/c1-6(11-12-10)2-3-7-4-5-8(15-7)9(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChI Key:
UAHJEHTVHQGGJE-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(CCc1ccc(s1)C(=O)O)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.266g/mol
Monoisotopic Mass:
225.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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