Home Nitros Isoquinoline, 3-methyl-5-nitro-

Isoquinoline, 3-methyl-5-nitro-

CAS No.:
18222-17-8
Catalog Number:
AG0023I5
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0023I5
Chemical Name:
Isoquinoline, 3-methyl-5-nitro-
CAS Number:
18222-17-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD11110422
IUPAC Name:
3-methyl-5-nitroisoquinoline
InChI:
InChI=1S/C10H8N2O2/c1-7-5-9-8(6-11-7)3-2-4-10(9)12(13)14/h2-6H,1H3
InChI Key:
ACENGYNMIBHPKD-UHFFFAOYSA-N
SMILES:
Cc1ncc2c(c1)c(ccc2)[N+](=O)[O-]
NSC Number:
121332
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties