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157672-18-9

157672-18-9 | Benzamide, 4-bromo-N-(2-hydroxyethyl)-3-methyl-

CAS No: 157672-18-9 Catalog No: AG001PML MDL No:MFCD09972123

Product Description

Catalog Number:
AG001PML
Chemical Name:
Benzamide, 4-bromo-N-(2-hydroxyethyl)-3-methyl-
CAS Number:
157672-18-9
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD09972123
IUPAC Name:
4-bromo-N-(2-hydroxyethyl)-3-methylbenzamide
InChI:
InChI=1S/C10H12BrNO2/c1-7-6-8(2-3-9(7)11)10(14)12-4-5-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChI Key:
ZJHYAQOHOXXINY-UHFFFAOYSA-N
SMILES:
OCCNC(=O)c1ccc(c(c1)C)Br

Properties

Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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