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1261850-60-5 | Benzenepropanoic acid, 2-bromo-4-iodo-
CAS No: 1261850-60-5 Catalog No: AG000S1J MDL No:
Product Description
Catalog Number:
AG000S1J
Chemical Name:
Benzenepropanoic acid, 2-bromo-4-iodo-
CAS Number:
1261850-60-5
Molecular Formula:
C9H8BrIO2
Molecular Weight:
354.9671
IUPAC Name:
3-(2-bromo-4-iodophenyl)propanoic acid
InChI:
InChI=1S/C9H8BrIO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChI Key:
BSBSZEGQMKZWDY-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1Br)I
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.875g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.969g/mol
Monoisotopic Mass:
353.875g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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