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Home > Nitro Compounds > 1379304-29-6
1379304-29-6 | 7-NITROISOQUINOLINE-1-CARBONITRILE
CAS No: 1379304-29-6 Catalog No: AG01BX5R MDL No:MFCD20037832
Product Description
Catalog Number:
AG01BX5R
Chemical Name:
7-NITROISOQUINOLINE-1-CARBONITRILE
CAS Number:
1379304-29-6
Molecular Formula:
C10H5N3O2
Molecular Weight:
199.1656
MDL Number:
MFCD20037832
IUPAC Name:
7-nitroisoquinoline-1-carbonitrile
InChI:
InChI=1S/C10H5N3O2/c11-6-10-9-5-8(13(14)15)2-1-7(9)3-4-12-10/h1-5H
InChI Key:
PVWYIIGNNJBSOU-UHFFFAOYSA-N
SMILES:
N#Cc1nccc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.169g/mol
Monoisotopic Mass:
199.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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