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626209-17-4 | 2-Bromo-N-phenethyl-propionamide
CAS No: 626209-17-4 Catalog No: AG01EWPE MDL No:
Product Description
Catalog Number:
AG01EWPE
Chemical Name:
2-Bromo-N-phenethyl-propionamide
CAS Number:
626209-17-4
Molecular Formula:
C11H14BrNO
Molecular Weight:
256.1390
IUPAC Name:
2-bromo-N-(2-phenylethyl)propanamide
InChI:
InChI=1S/C11H14BrNO/c1-9(12)11(14)13-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
InChI Key:
KYGVWQHKDRIQKQ-UHFFFAOYSA-N
SMILES:
O=C(C(Br)C)NCCc1ccccc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.143g/mol
Monoisotopic Mass:
255.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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