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188592-61-2 | Propanamide, N-(4-bromo-3-methylphenyl)-3-chloro-
CAS No: 188592-61-2 Catalog No: AG002H12 MDL No:
Product Description
Catalog Number:
AG002H12
Chemical Name:
Propanamide, N-(4-bromo-3-methylphenyl)-3-chloro-
CAS Number:
188592-61-2
Molecular Formula:
C10H11BrClNO
Molecular Weight:
276.5574
IUPAC Name:
N-(4-bromo-3-methylphenyl)-3-chloropropanamide
InChI:
InChI=1S/C10H11BrClNO/c1-7-6-8(2-3-9(7)11)13-10(14)4-5-12/h2-3,6H,4-5H2,1H3,(H,13,14)
InChI Key:
LSEPKATWIXCPMC-UHFFFAOYSA-N
SMILES:
ClCCC(=O)Nc1ccc(c(c1)C)Br
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.558g/mol
Monoisotopic Mass:
274.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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