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Home > Nitro Compounds > 610-91-3
610-91-3 | 1,2,4-Trimethyl-5-nitrobenzene
CAS No: 610-91-3 Catalog No: AG0032K6 MDL No:MFCD00024272
Product Description
Catalog Number:
AG0032K6
Chemical Name:
1,2,4-Trimethyl-5-nitrobenzene
CAS Number:
610-91-3
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00024272
IUPAC Name:
1,2,4-trimethyl-5-nitrobenzene
InChI:
InChI=1S/C9H11NO2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3
InChI Key:
WILMQVBUVCETSB-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(cc1C)C
EC Number:
210-238-9
NSC Number:
10997
Properties
Complexity:
176
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:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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