Home Other Building Blocks 7-NITRO-3,4-DIHYDROISOQUINOLINE

7-NITRO-3,4-DIHYDROISOQUINOLINE

CAS No.:
62541-59-7
Catalog Number:
AG00EBYM
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG00EBYM
Chemical Name:
7-NITRO-3,4-DIHYDROISOQUINOLINE
CAS Number:
62541-59-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD01529683
IUPAC Name:
7-nitro-3,4-dihydroisoquinoline
InChI:
InChI=1S/C9H8N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5-6H,3-4H2
InChI Key:
GVHORNVRKMSZLA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)C=NCC2
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties