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130546-37-1 | Benzene, 2-chloro-1-ethenyl-4-nitro-
CAS No: 130546-37-1 Catalog No: AG000UMM MDL No:
Product Description
Catalog Number:
AG000UMM
Chemical Name:
Benzene, 2-chloro-1-ethenyl-4-nitro-
CAS Number:
130546-37-1
Molecular Formula:
C8H6ClNO2
Molecular Weight:
183.5917
IUPAC Name:
2-chloro-1-ethenyl-4-nitrobenzene
InChI:
InChI=1S/C8H6ClNO2/c1-2-6-3-4-7(10(11)12)5-8(6)9/h2-5H,1H2
InChI Key:
MBNVQVQIBLWOBI-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1Cl)[N+](=O)[O-]
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.591g/mol
Monoisotopic Mass:
183.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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