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19715-80-1 | Benzeneacetamide, 4-bromo-N,N-dimethyl-
CAS No: 19715-80-1 Catalog No: AG002AM9 MDL No:MFCD02860725
Product Description
Catalog Number:
AG002AM9
Chemical Name:
Benzeneacetamide, 4-bromo-N,N-dimethyl-
CAS Number:
19715-80-1
Molecular Formula:
C10H12BrNO
Molecular Weight:
242.1124
MDL Number:
MFCD02860725
IUPAC Name:
2-(4-bromophenyl)-N,N-dimethylacetamide
InChI:
InChI=1S/C10H12BrNO/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChI Key:
CNGVHZAORFMGBW-UHFFFAOYSA-N
SMILES:
CN(C(=O)Cc1ccc(cc1)Br)C
Properties
Complexity:
174
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:
0
Isotope Atom Count:
0
Molecular Weight:
242.116g/mol
Monoisotopic Mass:
241.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Toward prediction of alkane/water partition coefficients. | Journal of medicinal chemistry 20080710 |
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