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Home > Nitro Compounds > 1005613-35-3
1005613-35-3 | 5-[2-(4-NITRO-PYRAZOL-1-YL)-ETHYL]-2H-TETRAZOLE
CAS No: 1005613-35-3 Catalog No: AG01ANUP MDL No:MFCD04969211
Product Description
Catalog Number:
AG01ANUP
Chemical Name:
5-[2-(4-NITRO-PYRAZOL-1-YL)-ETHYL]-2H-TETRAZOLE
CAS Number:
1005613-35-3
Molecular Formula:
C6H7N7O2
Molecular Weight:
209.1655
MDL Number:
MFCD04969211
IUPAC Name:
5-[2-(4-nitropyrazol-1-yl)ethyl]-2H-tetrazole
InChI:
InChI=1S/C6H7N7O2/c14-13(15)5-3-7-12(4-5)2-1-6-8-10-11-9-6/h3-4H,1-2H2,(H,8,9,10,11)
InChI Key:
DGBDNYFQRIJAJQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)CCc1n[nH]nn1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.169g/mol
Monoisotopic Mass:
209.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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