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Home > Nitro Compounds > 768340-96-1
768340-96-1 | Isoquinoline, 3-ethyl-1,2,3,4-tetrahydro-2-methyl-7-nitro- (9CI)
CAS No: 768340-96-1 Catalog No: AG00GFEE MDL No:
Product Description
Catalog Number:
AG00GFEE
Chemical Name:
Isoquinoline, 3-ethyl-1,2,3,4-tetrahydro-2-methyl-7-nitro- (9CI)
CAS Number:
768340-96-1
IUPAC Name:
3-ethyl-2-methyl-7-nitro-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H16N2O2/c1-3-11-6-9-4-5-12(14(15)16)7-10(9)8-13(11)2/h4-5,7,11H,3,6,8H2,1-2H3
InChI Key:
GGWNUJMLWVRXCM-UHFFFAOYSA-N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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