Home Halogens 2-bromo-6-(phenylformamido)hexanoic acid

2-bromo-6-(phenylformamido)hexanoic acid

CAS No.:
1700-05-6
Catalog Number:
AG01B9X5
Molecular Formula:
C13H16BrNO3
Molecular Weight:
314.1750
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Product Description
Catalog Number:
AG01B9X5
Chemical Name:
2-bromo-6-(phenylformamido)hexanoic acid
CAS Number:
1700-05-6
Molecular Formula:
C13H16BrNO3
Molecular Weight:
314.1750
MDL Number:
MFCD00033337
IUPAC Name:
6-benzamido-2-bromohexanoic acid
InChI:
InChI=1S/C13H16BrNO3/c14-11(13(17)18)8-4-5-9-15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,15,16)(H,17,18)
InChI Key:
FJFPFKONXJAJQH-UHFFFAOYSA-N
SMILES:
BrC(C(=O)O)CCCCNC(=O)c1ccccc1
NSC Number:
3742
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.031g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
314.179g/mol
Monoisotopic Mass:
313.031g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties