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625820-74-8

625820-74-8 | 2-[(3-Bromo[1

CAS No: 625820-74-8 Catalog No: AG01FOAZ MDL No:

Product Description

Catalog Number:
AG01FOAZ
Chemical Name:
2-[(3-Bromo[1
CAS Number:
625820-74-8
IUPAC Name:
2-(2-bromo-4-phenylphenoxy)acetic acid
InChI:
InChI=1S/C14H11BrO3/c15-12-8-11(10-4-2-1-3-5-10)6-7-13(12)18-9-14(16)17/h1-8H,9H2,(H,16,17)
InChI Key:
ZFHOSCKBZZRRJE-UHFFFAOYSA-N

Properties

Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.989g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
307.143g/mol
Monoisotopic Mass:
305.989g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Literature

Title Journal
Finding discriminating structural features by reassembling common building blocks. Journal of medicinal chemistry 20031023

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