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13551-90-1

13551-90-1 | 1H-Imidazole, 2-nitro-1-(oxiranylmethyl)-

CAS No: 13551-90-1 Catalog No: AG00HU6T MDL No:

Product Description

Catalog Number:
AG00HU6T
Chemical Name:
1H-Imidazole, 2-nitro-1-(oxiranylmethyl)-
CAS Number:
13551-90-1
IUPAC Name:
2-nitro-1-(oxiran-2-ylmethyl)imidazole
InChI:
InChI=1S/C6H7N3O3/c10-9(11)6-7-1-2-8(6)3-5-4-12-5/h1-2,5H,3-4H2
InChI Key:
SYFMSLVOHQZYEB-UHFFFAOYSA-N
NSC Number:
342688

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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