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Home > Nitro Compounds > 102878-76-2
102878-76-2 | 4-ethyl-2-methyl-1-nitrobenzene
CAS No: 102878-76-2 Catalog No: AG01DTMN MDL No:MFCD22490542
Product Description
Catalog Number:
AG01DTMN
Chemical Name:
4-ethyl-2-methyl-1-nitrobenzene
CAS Number:
102878-76-2
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD22490542
IUPAC Name:
4-ethyl-2-methyl-1-nitrobenzene
InChI:
InChI=1S/C9H11NO2/c1-3-8-4-5-9(10(11)12)7(2)6-8/h4-6H,3H2,1-2H3
InChI Key:
JRFWREBLPZKNNR-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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