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1367810-55-6 | Isoquinoline, 1-chloro-6-nitro-
CAS No: 1367810-55-6 Catalog No: AG0012CK MDL No:MFCD23135784
Product Description
Catalog Number:
AG0012CK
Chemical Name:
Isoquinoline, 1-chloro-6-nitro-
CAS Number:
1367810-55-6
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
MDL Number:
MFCD23135784
IUPAC Name:
1-chloro-6-nitroisoquinoline
InChI:
InChI=1S/C9H5ClN2O2/c10-9-8-2-1-7(12(13)14)5-6(8)3-4-11-9/h1-5H
InChI Key:
HYPKTFUVDWSWBZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccnc2Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.601g/mol
Monoisotopic Mass:
208.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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