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2499-47-0 | 1,3-Dioxolane, 2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-
CAS No: 2499-47-0 Catalog No: AG002Q44 MDL No:
Product Description
Catalog Number:
AG002Q44
Chemical Name:
1,3-Dioxolane, 2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-
CAS Number:
2499-47-0
Molecular Formula:
C14H14ClNO4
Molecular Weight:
295.7183
IUPAC Name:
2-(chloromethyl)-2-[4-(4-nitrophenyl)buta-1,3-dienyl]-1,3-dioxolane
InChI:
InChI=1S/C14H14ClNO4/c15-11-14(19-9-10-20-14)8-2-1-3-12-4-6-13(7-5-12)16(17)18/h1-8H,9-11H2
InChI Key:
GGHSZBCEDMGJEK-UHFFFAOYSA-N
SMILES:
ClCC1(OCCO1)C=CC=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.061g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.719g/mol
Monoisotopic Mass:
295.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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