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Home > Nitro Compounds > 76629-45-3
76629-45-3 | 3-[4-(3-METHYL)OXADIZOLYL]-NITRO BENZENE
CAS No: 76629-45-3 Catalog No: AG00G3F0 MDL No:MFCD08443718
Product Description
Catalog Number:
AG00G3F0
Chemical Name:
3-[4-(3-METHYL)OXADIZOLYL]-NITRO BENZENE
CAS Number:
76629-45-3
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
MDL Number:
MFCD08443718
IUPAC Name:
3-methyl-5-(3-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C9H7N3O3/c1-6-10-9(15-11-6)7-3-2-4-8(5-7)12(13)14/h2-5H,1H3
InChI Key:
XXKKFKQALFBXHQ-UHFFFAOYSA-N
SMILES:
Cc1noc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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