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1379305-01-7

1379305-01-7 | Ethanone, 2-bromo-1-(4-bromo-3-pyridinyl)-

CAS No: 1379305-01-7 Catalog No: AG001446 MDL No:

Product Description

Catalog Number:
AG001446
Chemical Name:
Ethanone, 2-bromo-1-(4-bromo-3-pyridinyl)-
CAS Number:
1379305-01-7
Molecular Formula:
C7H5Br2NO
Molecular Weight:
278.9287
IUPAC Name:
propyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C14H19NO3S/c1-3-8-18-14(17)12-10-6-4-5-7-11(10)19-13(12)15-9(2)16/h3-8H2,1-2H3,(H,15,16)
InChI Key:
WSZJJYAEKPYUBB-UHFFFAOYSA-N
SMILES:
Brc1ccncc1C(=O)CBr

Properties

Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.109g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.37g/mol
Monoisotopic Mass:
281.109g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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