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1665-47-0 | Propanamide, 3-bromo-N-(phenylmethyl)-
CAS No: 1665-47-0 Catalog No: AG001WS0 MDL No:MFCD07573879
Product Description
Catalog Number:
AG001WS0
Chemical Name:
Propanamide, 3-bromo-N-(phenylmethyl)-
CAS Number:
1665-47-0
Molecular Formula:
C10H12BrNO
Molecular Weight:
242.1124
MDL Number:
MFCD07573879
IUPAC Name:
N-benzyl-3-bromopropanamide
InChI:
InChI=1S/C10H12BrNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChI Key:
HDBRGLDGUIIZAW-UHFFFAOYSA-N
SMILES:
BrCCC(=O)NCc1ccccc1
NSC Number:
38808
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.116g/mol
Monoisotopic Mass:
241.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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