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113388-37-7 | Quinoline, 6-(dichloromethyl)-5-nitro-
CAS No: 113388-37-7 Catalog No: AG0008ES MDL No:
Product Description
Catalog Number:
AG0008ES
Chemical Name:
Quinoline, 6-(dichloromethyl)-5-nitro-
CAS Number:
113388-37-7
Molecular Formula:
C10H6Cl2N2O2
Molecular Weight:
257.0728
IUPAC Name:
6-(dichloromethyl)-5-nitroquinoline
InChI:
InChI=1S/C10H6Cl2N2O2/c11-10(12)7-3-4-8-6(2-1-5-13-8)9(7)14(15)16/h1-5,10H
InChI Key:
IECZPHDOBOPGKU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccc2c1cccn2)C(Cl)Cl
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.981g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.07g/mol
Monoisotopic Mass:
255.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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