Home Nitros 2-Ethyl-4-nitrobenzo[d]oxazole

2-Ethyl-4-nitrobenzo[d]oxazole

CAS No.:
477603-34-2
Catalog Number:
AG00E6WB
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
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Product Description
Catalog Number:
AG00E6WB
Chemical Name:
2-Ethyl-4-nitrobenzo[d]oxazole
CAS Number:
477603-34-2
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD09864802
IUPAC Name:
2-ethyl-4-nitro-1,3-benzoxazole
InChI:
InChI=1S/C9H8N2O3/c1-2-8-10-9-6(11(12)13)4-3-5-7(9)14-8/h3-5H,2H2,1H3
InChI Key:
RXERROAGDLLQDA-UHFFFAOYSA-N
SMILES:
CCc1oc2c(n1)c(ccc2)[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  
Properties