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The molecular formula of trans-2-Chloro-beta-nitrostyrene is C8H6ClNO2.
The molecular weight of trans-2-Chloro-beta-nitrostyrene is 183.59 g/mol.
The IUPAC name of trans-2-Chloro-beta-nitrostyrene is 1-chloro-2-[(E)-2-nitroethenyl]benzene.
The InChI of trans-2-Chloro-beta-nitrostyrene is InChI=1S/C8H6ClNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H/b6-5+.
The InChIKey of trans-2-Chloro-beta-nitrostyrene is QHKJTRDWAZGBLR-AATRIKPKSA-N.
The canonical SMILES of trans-2-Chloro-beta-nitrostyrene is C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl.
The isomeric SMILES of trans-2-Chloro-beta-nitrostyrene is C1=CC=C(C(=C1)/C=C/[N+](=O)[O-])Cl.
The CAS number of trans-2-Chloro-beta-nitrostyrene is 3156-34-1.
The XLogP3 value of trans-2-Chloro-beta-nitrostyrene is 2.9.
The hydrogen bond acceptor count of trans-2-Chloro-beta-nitrostyrene is 2.
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