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1706462-03-4

1706462-03-4 | 4-((3,4-Dihydroquinolin-1(2H)-yl)sulfonyl)benzoyl chloride

CAS No: 1706462-03-4 Catalog No: AG01AS1L MDL No:MFCD26940503

Product Description

Catalog Number:
AG01AS1L
Chemical Name:
4-((3,4-Dihydroquinolin-1(2H)-yl)sulfonyl)benzoyl chloride
CAS Number:
1706462-03-4
Molecular Formula:
C16H14ClNO3S
Molecular Weight:
335.8053
MDL Number:
MFCD26940503
IUPAC Name:
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl chloride
InChI:
InChI=1S/C16H14ClNO3S/c17-16(19)13-7-9-14(10-8-13)22(20,21)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2
InChI Key:
IOCAYRPRDSQMNK-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)S(=O)(=O)N1CCCc2c1cccc2

Properties

Complexity:
508  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.038g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.802g/mol
Monoisotopic Mass:
335.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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