Home Other Building Blocks 2-BROMO-N-[2-(3,4-DIHYDROXYPHENYL)ETHYL]-PROPANAMIDE

2-BROMO-N-[2-(3,4-DIHYDROXYPHENYL)ETHYL]-PROPANAMIDE

CAS No.:
862673-06-1
Catalog Number:
AG0035VG
Molecular Formula:
C11H14BrNO3
Molecular Weight:
288.1378
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Product Description
Catalog Number:
AG0035VG
Chemical Name:
2-BROMO-N-[2-(3,4-DIHYDROXYPHENYL)ETHYL]-PROPANAMIDE
CAS Number:
862673-06-1
Molecular Formula:
C11H14BrNO3
Molecular Weight:
288.1378
MDL Number:
MFCD30478705
IUPAC Name:
2-bromo-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide
InChI:
InChI=1S/C11H14BrNO3/c1-7(12)11(16)13-5-4-8-2-3-9(14)10(15)6-8/h2-3,6-7,14-15H,4-5H2,1H3,(H,13,16)
InChI Key:
LGZVAJNPGRBFOC-UHFFFAOYSA-N
SMILES:
O=C(C(Br)C)NCCc1ccc(c(c1)O)O
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.016g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
288.141g/mol
Monoisotopic Mass:
287.016g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties