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179419-26-2 | Carbonic acid, 1-chloro-1-methylethyl 4-nitrophenyl ester
CAS No: 179419-26-2 Catalog No: AG002705 MDL No:
Product Description
Catalog Number:
AG002705
Chemical Name:
Carbonic acid, 1-chloro-1-methylethyl 4-nitrophenyl ester
CAS Number:
179419-26-2
Molecular Formula:
C10H10ClNO5
Molecular Weight:
259.6431
IUPAC Name:
2-chloropropan-2-yl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C10H10ClNO5/c1-10(2,11)17-9(13)16-8-5-3-7(4-6-8)12(14)15/h3-6H,1-2H3
InChI Key:
QSIZWXPIZBYFML-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OC(Cl)(C)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.642g/mol
Monoisotopic Mass:
259.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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