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Home > Nitro Compounds > 204771-74-4
204771-74-4 | Benzoxazole, 2-ethyl-5-nitro-
CAS No: 204771-74-4 Catalog No: AG0029OP MDL No:MFCD03791185
Product Description
Catalog Number:
AG0029OP
Chemical Name:
Benzoxazole, 2-ethyl-5-nitro-
CAS Number:
204771-74-4
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD03791185
IUPAC Name:
2-ethyl-5-nitro-1,3-benzoxazole
InChI:
InChI=1S/C9H8N2O3/c1-2-9-10-7-5-6(11(12)13)3-4-8(7)14-9/h3-5H,2H2,1H3
InChI Key:
FERFKXKLCUEJPW-UHFFFAOYSA-N
SMILES:
CCc1oc2c(n1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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