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143704-78-3

143704-78-3 | Propanamide, N-(cyclopropylmethyl)-2-[(2,4-dibromophenyl)sulfonyl]-

CAS No: 143704-78-3 Catalog No: AG001I8K MDL No:

Product Description

Catalog Number:
AG001I8K
Chemical Name:
Propanamide, N-(cyclopropylmethyl)-2-[(2,4-dibromophenyl)sulfonyl]-
CAS Number:
143704-78-3
Molecular Formula:
C13H15Br2NO3S
Molecular Weight:
425.1361
IUPAC Name:
N-(cyclopropylmethyl)-2-(2,4-dibromophenyl)sulfonylpropanamide
InChI:
InChI=1S/C13H15Br2NO3S/c1-8(13(17)16-7-9-2-3-9)20(18,19)12-5-4-10(14)6-11(12)15/h4-6,8-9H,2-3,7H2,1H3,(H,16,17)
InChI Key:
PVGCJIXWYRBOTJ-UHFFFAOYSA-N
SMILES:
O=C(C(S(=O)(=O)c1ccc(cc1Br)Br)C)NCC1CC1

Properties

Complexity:
459  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.912g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
425.135g/mol
Monoisotopic Mass:
422.914g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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