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Home > Indoles and Oxindole > 90433-08-2
90433-08-2 | 5-(1'H-tetrazol-5'-yl)-1H-indole
CAS No: 90433-08-2 Catalog No: AG00H25L MDL No:MFCD22195574
Product Description
Catalog Number:
AG00H25L
Chemical Name:
5-(1'H-tetrazol-5'-yl)-1H-indole
CAS Number:
90433-08-2
Molecular Formula:
C9H7N5
Molecular Weight:
185.1854
MDL Number:
MFCD22195574
IUPAC Name:
5-(2H-tetrazol-5-yl)-1H-indole
InChI:
InChI=1S/C9H7N5/c1-2-8-6(3-4-10-8)5-7(1)9-11-13-14-12-9/h1-5,10H,(H,11,12,13,14)
InChI Key:
FNMYDHWOJBRDQA-UHFFFAOYSA-N
SMILES:
n1[nH]nc(n1)c1ccc2c(c1)cc[nH]2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.19g/mol
Monoisotopic Mass:
185.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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