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71750-40-8

71750-40-8 | 1,2,3,4-tetrahydronitronaphthalene

CAS No: 71750-40-8 Catalog No: AG00FV4I MDL No:

Product Description

Catalog Number:
AG00FV4I
Chemical Name:
1,2,3,4-tetrahydronitronaphthalene
CAS Number:
71750-40-8
IUPAC Name:
1-nitro-1,2,3,4-tetrahydronaphthalene
InChI:
InChI=1S/C10H11NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2
InChI Key:
USQUNNYHRYDWDE-UHFFFAOYSA-N

Properties

Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Literature

Title Journal
En route to dinitroacetylene: nitro(trimethylsilyl)acetylene and nitroacetylene harnessed by dicobalt hexacarbonyl. Chemistry (Weinheim an der Bergstrasse, Germany) 20120521

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