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18982-43-9 | Benzene, 1-chloro-2-(2-nitro-1-propen-1-yl)-
CAS No: 18982-43-9 Catalog No: AG002E0R MDL No:
Product Description
Catalog Number:
AG002E0R
Chemical Name:
Benzene, 1-chloro-2-(2-nitro-1-propen-1-yl)-
CAS Number:
18982-43-9
Molecular Formula:
C9H8ClNO2
Molecular Weight:
197.6183
IUPAC Name:
1-chloro-2-[(E)-2-nitroprop-1-enyl]benzene
InChI:
InChI=1S/C9H8ClNO2/c1-7(11(12)13)6-8-4-2-3-5-9(8)10/h2-6H,1H3/b7-6+
InChI Key:
FCXHCITVQOIVMI-VOTSOKGWSA-N
SMILES:
[O-][N+](=O)C(=Cc1ccccc1Cl)C
NSC Number:
168624
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
197.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.618g/mol
Monoisotopic Mass:
197.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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