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788807-49-8 | 1-(4-CHLORO-7-(PHENYLSULFONYL)ISOQUINOLIN-1-YL)GUANIDINE
CAS No: 788807-49-8 Catalog No: AG005502 MDL No:
Product Description
Catalog Number:
AG005502
Chemical Name:
1-(4-CHLORO-7-(PHENYLSULFONYL)ISOQUINOLIN-1-YL)GUANIDINE
CAS Number:
788807-49-8
Molecular Formula:
C16H13ClN4O2S
Molecular Weight:
360.8180
IUPAC Name:
2-[7-(benzenesulfonyl)-4-chloroisoquinolin-1-yl]guanidine
InChI:
InChI=1S/C16H13ClN4O2S/c17-14-9-20-15(21-16(18)19)13-8-11(6-7-12(13)14)24(22,23)10-4-2-1-3-5-10/h1-9H,(H4,18,19,20,21)
InChI Key:
RFKKRFPXGHPURP-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1ncc(c2c1cc(cc2)S(=O)(=O)c1ccccc1)Cl
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.045g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.816g/mol
Monoisotopic Mass:
360.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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