Home Halogens 4-bromo-6-chloro-1H-indole-2-carboxylic acid

4-bromo-6-chloro-1H-indole-2-carboxylic acid

CAS No.:
1540205-70-6
Catalog Number:
AG01DVL0
Molecular Formula:
C9H5BrClNO2
Molecular Weight:
274.4985
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Product Description
Catalog Number:
AG01DVL0
Chemical Name:
4-bromo-6-chloro-1H-indole-2-carboxylic acid
CAS Number:
1540205-70-6
Molecular Formula:
C9H5BrClNO2
Molecular Weight:
274.4985
MDL Number:
MFCD24129642
IUPAC Name:
4-bromo-6-chloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H5BrClNO2/c10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14/h1-3,12H,(H,13,14)
InChI Key:
YXRRVKVSQPGMRL-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c2c(c1)[nH]c(c2)C(=O)O
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.919g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
274.498g/mol
Monoisotopic Mass:
272.919g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties