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89375-15-5 | Naphthalene, 2-(1-chloro-4-nitro-1,3-butadienyl)-
CAS No: 89375-15-5 Catalog No: AG003WMU MDL No:
Product Description
Catalog Number:
AG003WMU
Chemical Name:
Naphthalene, 2-(1-chloro-4-nitro-1,3-butadienyl)-
CAS Number:
89375-15-5
Molecular Formula:
C14H10ClNO2
Molecular Weight:
259.6877
IUPAC Name:
2-(1-chloro-4-nitrobuta-1,3-dienyl)naphthalene
InChI:
InChI=1S/C14H10ClNO2/c15-14(6-3-9-16(17)18)13-8-7-11-4-1-2-5-12(11)10-13/h1-10H
InChI Key:
SQULLPYUKPCYDA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=CC=C(c1ccc2c(c1)cccc2)Cl
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.689g/mol
Monoisotopic Mass:
259.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.5
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