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Home > Nitro Compounds > 99365-63-6
99365-63-6 | Isoquinoline, 2-acetyl-1,2,3,4-tetrahydro-7-nitro-
CAS No: 99365-63-6 Catalog No: AG00IK9U MDL No:
Product Description
Catalog Number:
AG00IK9U
Chemical Name:
Isoquinoline, 2-acetyl-1,2,3,4-tetrahydro-7-nitro-
CAS Number:
99365-63-6
IUPAC Name:
1-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C11H12N2O3/c1-8(14)12-5-4-9-2-3-11(13(15)16)6-10(9)7-12/h2-3,6H,4-5,7H2,1H3
InChI Key:
BKJRHIYYEKJYTP-UHFFFAOYSA-N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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