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CHEMHERE CHEM121527

CAS No.:
1394085-55-2
Catalog Number:
AG01EJSA
Molecular Formula:
C10H5N3O2
Molecular Weight:
199.1656
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Product Description
Catalog Number:
AG01EJSA
Chemical Name:
CHEMHERE CHEM121527
CAS Number:
1394085-55-2
Molecular Formula:
C10H5N3O2
Molecular Weight:
199.1656
MDL Number:
MFCD28669053
IUPAC Name:
8-nitroquinoline-5-carbonitrile
InChI:
InChI=1S/C10H5N3O2/c11-6-7-3-4-9(13(14)15)10-8(7)2-1-5-12-10/h1-5H
InChI Key:
QDDPOULHTXIYEV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccn2)[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:
1.7  
Properties