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57775-11-8 | 3-?(4-?Bromophenyl)?propanamide
CAS No: 57775-11-8 Catalog No: AG01EWIS MDL No:
Product Description
Catalog Number:
AG01EWIS
Chemical Name:
3-?(4-?Bromophenyl)?propanamide
CAS Number:
57775-11-8
Molecular Formula:
C9H10BrNO
Molecular Weight:
228.0858
IUPAC Name:
3-(4-bromophenyl)propanamide
InChI:
InChI=1S/C9H10BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H2,11,12)
InChI Key:
MSYVIHNLCVUBFM-UHFFFAOYSA-N
SMILES:
NC(=O)CCc1ccc(cc1)Br
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.089g/mol
Monoisotopic Mass:
226.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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