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393516-79-5 | 2-NITROMETHYL IMIDAZOLE
CAS No: 393516-79-5 Catalog No: AG00CJ2S MDL No:
Product Description
Catalog Number:
AG00CJ2S
Chemical Name:
2-NITROMETHYL IMIDAZOLE
CAS Number:
393516-79-5
IUPAC Name:
2-(nitromethyl)-1H-imidazole
InChI:
InChI=1S/C4H5N3O2/c8-7(9)3-4-5-1-2-6-4/h1-2H,3H2,(H,5,6)
InChI Key:
UJGLGHFVENLPLA-UHFFFAOYSA-N
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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