sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 1H-Indole-3-acetic acid, 6-chloro-

1H-Indole-3-acetic acid, 6-chloro-

CAS No.:
1912-44-3
Catalog Number:
AG002F47
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002F47
Chemical Name:
1H-Indole-3-acetic acid, 6-chloro-
CAS Number:
1912-44-3
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD09751729
IUPAC Name:
2-(6-chloro-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C10H8ClNO2/c11-7-1-2-8-6(3-10(13)14)5-12-9(8)4-7/h1-2,4-5,12H,3H2,(H,13,14)
InChI Key:
KKJVTNQWFSAWSK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1ccc(c2)Cl
NSC Number:
295295
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Binding of ring-substituted indole-3-acetic acids to human serum albumin. Bioorganic & medicinal chemistry 20070701
Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy. Bioorganic & medicinal chemistry letters 20020916
Properties