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828252-10-4 | Acetamide, N-[4-(2-bromoethyl)-2,5-dimethylphenyl]-
CAS No: 828252-10-4 Catalog No: AG004XLX MDL No:
Product Description
Catalog Number:
AG004XLX
Chemical Name:
Acetamide, N-[4-(2-bromoethyl)-2,5-dimethylphenyl]-
CAS Number:
828252-10-4
Molecular Formula:
C12H16BrNO
Molecular Weight:
270.1655
IUPAC Name:
N-[4-(2-bromoethyl)-2,5-dimethylphenyl]acetamide
InChI:
InChI=1S/C12H16BrNO/c1-8-7-12(14-10(3)15)9(2)6-11(8)4-5-13/h6-7H,4-5H2,1-3H3,(H,14,15)
InChI Key:
CEUXWWKQQBOPCA-UHFFFAOYSA-N
SMILES:
BrCCc1cc(C)c(cc1C)NC(=O)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.17g/mol
Monoisotopic Mass:
269.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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