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Home > Nitro Compounds > 88091-68-3
88091-68-3 | Carbonochloridic acid, 2-(4-nitrophenyl)ethyl ester
CAS No: 88091-68-3 Catalog No: AG004J69 MDL No:
Product Description
Catalog Number:
AG004J69
Chemical Name:
Carbonochloridic acid, 2-(4-nitrophenyl)ethyl ester
CAS Number:
88091-68-3
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
IUPAC Name:
2-(4-nitrophenyl)ethyl carbonochloridate
InChI:
InChI=1S/C9H8ClNO4/c10-9(12)15-6-5-7-1-3-8(4-2-7)11(13)14/h1-4H,5-6H2
InChI Key:
NCQSSTRHJKPWGI-UHFFFAOYSA-N
SMILES:
ClC(=O)OCCc1ccc(cc1)[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:
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:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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