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Home > Indoles and Oxindole > 254431-67-9
254431-67-9 | 2-[3-(2H-1,2,3,4-tetrazol-5-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 254431-67-9 Catalog No: AG019S6S MDL No:MFCD20501982
Product Description
Catalog Number:
AG019S6S
Chemical Name:
2-[3-(2H-1,2,3,4-tetrazol-5-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
254431-67-9
Molecular Formula:
C12H11N5O2
Molecular Weight:
257.2480
MDL Number:
MFCD20501982
IUPAC Name:
2-[3-(2H-tetrazol-5-yl)propyl]isoindole-1,3-dione
InChI:
InChI=1S/C12H11N5O2/c18-11-8-4-1-2-5-9(8)12(19)17(11)7-3-6-10-13-15-16-14-10/h1-2,4-5H,3,6-7H2,(H,13,14,15,16)
InChI Key:
SNCGPLSJLVNYPB-UHFFFAOYSA-N
SMILES:
O=C1N(CCCc2n[nH]nn2)C(=O)c2c1cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.253g/mol
Monoisotopic Mass:
257.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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