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89375-14-4 | Benzene, 1-(1-chloro-4-nitro-1,3-butadienyl)-4-methyl-
CAS No: 89375-14-4 Catalog No: AG003WMV MDL No:
Product Description
Catalog Number:
AG003WMV
Chemical Name:
Benzene, 1-(1-chloro-4-nitro-1,3-butadienyl)-4-methyl-
CAS Number:
89375-14-4
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
IUPAC Name:
1-(1-chloro-4-nitrobuta-1,3-dienyl)-4-methylbenzene
InChI:
InChI=1S/C11H10ClNO2/c1-9-4-6-10(7-5-9)11(12)3-2-8-13(14)15/h2-8H,1H3
InChI Key:
VVJQBTSVEMXQIG-UHFFFAOYSA-N
SMILES:
ClC(=CC=C[N+](=O)[O-])c1ccc(cc1)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.656g/mol
Monoisotopic Mass:
223.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.6
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