Home Other Building Blocks 2-(2-CHLORO-4-NITROPHENOXYMETHYL)OXIRANE

2-(2-CHLORO-4-NITROPHENOXYMETHYL)OXIRANE

CAS No.:
69114-04-1
Catalog Number:
AG01EK1X
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
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Product Description
Catalog Number:
AG01EK1X
Chemical Name:
2-(2-CHLORO-4-NITROPHENOXYMETHYL)OXIRANE
CAS Number:
69114-04-1
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD09739249
IUPAC Name:
2-[(2-chloro-4-nitrophenoxy)methyl]oxirane
InChI:
InChI=1S/C9H8ClNO4/c10-8-3-6(11(12)13)1-2-9(8)15-5-7-4-14-7/h1-3,7H,4-5H2
InChI Key:
QVEGEDSWHHPLLK-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OCC1CO1)[N+](=O)[O-]
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties