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Home > Nitro Compounds > 13243-39-5
13243-39-5 | Benzoxazole, 2-ethyl-6-nitro-
CAS No: 13243-39-5 Catalog No: AG0010OT MDL No:MFCD03791183
Product Description
Catalog Number:
AG0010OT
Chemical Name:
Benzoxazole, 2-ethyl-6-nitro-
CAS Number:
13243-39-5
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD03791183
IUPAC Name:
2-ethyl-6-nitro-1,3-benzoxazole
InChI:
InChI=1S/C9H8N2O3/c1-2-9-10-7-4-3-6(11(12)13)5-8(7)14-9/h3-5H,2H2,1H3
InChI Key:
PCGXXJTVFLMTPJ-UHFFFAOYSA-N
SMILES:
CCc1nc2c(o1)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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