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Home > Nitro Compounds > 177595-29-8
177595-29-8 | 5-[(2-nitrophenyl)methyl]-1H-1,2,3,4-tetrazole
CAS No: 177595-29-8 Catalog No: AG01A1J7 MDL No:MFCD11156004
Product Description
Catalog Number:
AG01A1J7
Chemical Name:
5-[(2-nitrophenyl)methyl]-1H-1,2,3,4-tetrazole
CAS Number:
177595-29-8
Molecular Formula:
C8H7N5O2
Molecular Weight:
205.1735
MDL Number:
MFCD11156004
IUPAC Name:
5-[(2-nitrophenyl)methyl]-2H-tetrazole
InChI:
InChI=1S/C8H7N5O2/c14-13(15)7-4-2-1-3-6(7)5-8-9-11-12-10-8/h1-4H,5H2,(H,9,10,11,12)
InChI Key:
QTFPZDIGKYZDMI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1Cc1nnn[nH]1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.177g/mol
Monoisotopic Mass:
205.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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