Home Other Building Blocks 2-Bromo-n-phenylbutanamide

2-Bromo-n-phenylbutanamide

CAS No.:
21486-48-6
Catalog Number:
AG003GSL
Molecular Formula:
C10H12BrNO
Molecular Weight:
242.1124
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Product Description
Catalog Number:
AG003GSL
Chemical Name:
2-Bromo-n-phenylbutanamide
CAS Number:
21486-48-6
Molecular Formula:
C10H12BrNO
Molecular Weight:
242.1124
MDL Number:
MFCD00297039
IUPAC Name:
2-bromo-N-phenylbutanamide
InChI:
InChI=1S/C10H12BrNO/c1-2-9(11)10(13)12-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,13)
InChI Key:
LPYHYCASMUNJLQ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Nc1ccccc1)Br
Properties
Complexity:
166  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
242.116g/mol
Monoisotopic Mass:
241.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties