Home Nitros 2-Chloromethyl-5-nitro-benzooxazole

2-Chloromethyl-5-nitro-benzooxazole

CAS No.:
119198-10-6
Catalog Number:
AG0093N7
Molecular Formula:
C8H5ClN2O3
Molecular Weight:
212.5899
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Product Description
Catalog Number:
AG0093N7
Chemical Name:
2-Chloromethyl-5-nitro-benzooxazole
CAS Number:
119198-10-6
Molecular Formula:
C8H5ClN2O3
Molecular Weight:
212.5899
MDL Number:
MFCD01596292
IUPAC Name:
2-(chloromethyl)-5-nitro-1,3-benzoxazole
InChI:
InChI=1S/C8H5ClN2O3/c9-4-8-10-6-3-5(11(12)13)1-2-7(6)14-8/h1-3H,4H2
InChI Key:
AQZQGQKSWZXRCF-UHFFFAOYSA-N
SMILES:
ClCc1oc2c(n1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.999g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.589g/mol
Monoisotopic Mass:
211.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties