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2499-55-0 | 1,3-Dioxolane, 2-(chloromethyl)-2-[2-(4-nitrophenyl)ethenyl]-
CAS No: 2499-55-0 Catalog No: AG002Q3Z MDL No:
Product Description
Catalog Number:
AG002Q3Z
Chemical Name:
1,3-Dioxolane, 2-(chloromethyl)-2-[2-(4-nitrophenyl)ethenyl]-
CAS Number:
2499-55-0
Molecular Formula:
C12H12ClNO4
Molecular Weight:
269.6810
IUPAC Name:
2-(chloromethyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,3-dioxolane
InChI:
InChI=1S/C12H12ClNO4/c13-9-12(17-7-8-18-12)6-5-10-1-3-11(4-2-10)14(15)16/h1-6H,7-9H2/b6-5+
InChI Key:
HOUUSEDRFDXIKN-AATRIKPKSA-N
SMILES:
ClCC1(OCCO1)C=Cc1ccc(cc1)[N+](=O)[O-]
NSC Number:
88902
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
269.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.681g/mol
Monoisotopic Mass:
269.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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