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842956-84-7 | 3-Bromo-N-(4-pyridin-4-ylmethyl-phenyl)-propionamide
CAS No: 842956-84-7 Catalog No: AG01EXNB MDL No:
Product Description
Catalog Number:
AG01EXNB
Chemical Name:
3-Bromo-N-(4-pyridin-4-ylmethyl-phenyl)-propionamide
CAS Number:
842956-84-7
Molecular Formula:
C15H15BrN2O
Molecular Weight:
319.1964
IUPAC Name:
3-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
InChI:
InChI=1S/C15H15BrN2O/c16-8-5-15(19)18-14-3-1-12(2-4-14)11-13-6-9-17-10-7-13/h1-4,6-7,9-10H,5,8,11H2,(H,18,19)
InChI Key:
AJVXTGSVWABGFN-UHFFFAOYSA-N
SMILES:
BrCCC(=O)Nc1ccc(cc1)Cc1ccncc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.037g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.202g/mol
Monoisotopic Mass:
318.037g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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