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Home > Nitro Compounds > 912971-30-3
912971-30-3 | 2-methyl-6-nitro-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
CAS No: 912971-30-3 Catalog No: AG01AE71 MDL No:MFCD27920125
Product Description
Catalog Number:
AG01AE71
Chemical Name:
2-methyl-6-nitro-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
CAS Number:
912971-30-3
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD27920125
IUPAC Name:
2-methyl-6-nitro-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
InChI:
InChI=1S/C12H15N3O2/c1-8-6-10(9-2-4-14-5-3-9)7-11(12(8)13)15(16)17/h2,6-7,14H,3-5,13H2,1H3
InChI Key:
UKFLRAQLRJRNKZ-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1N)[N+](=O)[O-])C1=CCNCC1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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