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209224-95-3 | 1H-Indene-2-carboxylic acid, 4-bromo-2,3-dihydro-
CAS No: 209224-95-3 Catalog No: AG002K3X MDL No:
Product Description
Catalog Number:
AG002K3X
Chemical Name:
1H-Indene-2-carboxylic acid, 4-bromo-2,3-dihydro-
CAS Number:
209224-95-3
Molecular Formula:
C10H9BrO2
Molecular Weight:
241.0813
IUPAC Name:
4-bromo-2,3-dihydro-1H-indene-2-carboxylic acid
InChI:
InChI=1S/C10H9BrO2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5H2,(H,12,13)
InChI Key:
SVJMSROPAWUXIJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(C1)cccc2Br
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.084g/mol
Monoisotopic Mass:
239.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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