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28917-41-1 | Benzene, 1-(2-chloroethyl)-2-nitro-
CAS No: 28917-41-1 Catalog No: AG002X2D MDL No:
Product Description
Catalog Number:
AG002X2D
Chemical Name:
Benzene, 1-(2-chloroethyl)-2-nitro-
CAS Number:
28917-41-1
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
IUPAC Name:
1-(2-chloroethyl)-2-nitrobenzene
InChI:
InChI=1S/C8H8ClNO2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5-6H2
InChI Key:
TWVULDZVRRLVSF-UHFFFAOYSA-N
SMILES:
ClCCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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