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89042-16-0 | Propanamide, 3-bromo-N-[2-(3-chlorophenyl)ethyl]-
CAS No: 89042-16-0 Catalog No: AG00423S MDL No:
Product Description
Catalog Number:
AG00423S
Chemical Name:
Propanamide, 3-bromo-N-[2-(3-chlorophenyl)ethyl]-
CAS Number:
89042-16-0
Molecular Formula:
C11H13BrClNO
Molecular Weight:
290.5840
IUPAC Name:
3-bromo-N-[2-(3-chlorophenyl)ethyl]propanamide
InChI:
InChI=1S/C11H13BrClNO/c12-6-4-11(15)14-7-5-9-2-1-3-10(13)8-9/h1-3,8H,4-7H2,(H,14,15)
InChI Key:
RPQYMLVBYZUNME-UHFFFAOYSA-N
SMILES:
BrCCC(=O)NCCc1cccc(c1)Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.987g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.585g/mol
Monoisotopic Mass:
288.987g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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