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Home > Nitro Compounds > 10268-39-0
10268-39-0 | Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-[(4-nitrophenyl)methyl]-
CAS No: 10268-39-0 Catalog No: AG00083L MDL No:
Product Description
Catalog Number:
AG00083L
Chemical Name:
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-[(4-nitrophenyl)methyl]-
CAS Number:
10268-39-0
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
6,7-dimethoxy-1-[(4-nitrophenyl)methyl]-3,4-dihydroisoquinoline
InChI:
InChI=1S/C18H18N2O4/c1-23-17-10-13-7-8-19-16(15(13)11-18(17)24-2)9-12-3-5-14(6-4-12)20(21)22/h3-6,10-11H,7-9H2,1-2H3
InChI Key:
YGNQHHPZQXFBEB-UHFFFAOYSA-N
SMILES:
COc1cc2C(=NCCc2cc1OC)Cc1ccc(cc1)[N+](=O)[O-]
NSC Number:
113109
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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