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5367-26-0 | 3-Chloro-2-nitrotoluene
CAS No: 5367-26-0 Catalog No: AG003HS0 MDL No:MFCD04117977
Product Description
Catalog Number:
AG003HS0
Chemical Name:
3-Chloro-2-nitrotoluene
CAS Number:
5367-26-0
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD04117977
IUPAC Name:
1-chloro-3-methyl-2-nitrobenzene
InChI:
InChI=1S/C7H6ClNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3
InChI Key:
JLDKNVUJLUGIBQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)cccc1Cl
EC Number:
226-354-8
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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