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Home > Bromides > 1912445-96-5
1912445-96-5 | 1H-Indole-7-carboxylic acid, 4-bromo-5-fluoro-2,3-dimethyl-
CAS No: 1912445-96-5 Catalog No: AG002F4I MDL No:
Product Description
Catalog Number:
AG002F4I
Chemical Name:
1H-Indole-7-carboxylic acid, 4-bromo-5-fluoro-2,3-dimethyl-
CAS Number:
1912445-96-5
Molecular Formula:
C11H9BrFNO2
Molecular Weight:
286.0971
IUPAC Name:
4-bromo-5-fluoro-2,3-dimethyl-1H-indole-7-carboxylic acid
InChI:
InChI=1S/C11H9BrFNO2/c1-4-5(2)14-10-6(11(15)16)3-7(13)9(12)8(4)10/h3,14H,1-2H3,(H,15,16)
InChI Key:
ZWCNWPFSOARSPO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c2c1[nH]c(c2C)C)Br
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.98g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.1g/mol
Monoisotopic Mass:
284.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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