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143708-26-3 | Benzoxazole, 2-(chloromethyl)-4-nitro-
CAS No: 143708-26-3 Catalog No: AG001I8D MDL No:MFCD09027181
Product Description
Catalog Number:
AG001I8D
Chemical Name:
Benzoxazole, 2-(chloromethyl)-4-nitro-
CAS Number:
143708-26-3
Molecular Formula:
C8H5ClN2O3
Molecular Weight:
212.5899
MDL Number:
MFCD09027181
IUPAC Name:
2-(chloromethyl)-4-nitro-1,3-benzoxazole
InChI:
InChI=1S/C8H5ClN2O3/c9-4-7-10-8-5(11(12)13)2-1-3-6(8)14-7/h1-3H,4H2
InChI Key:
RTWKRGSOUYVHPR-UHFFFAOYSA-N
SMILES:
ClCc1oc2c(n1)c(ccc2)[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
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