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89189-59-3 | Benzenepropanoic acid, dibromo-
CAS No: 89189-59-3 Catalog No: AG004TOL MDL No:MFCD18394576
Product Description
Catalog Number:
AG004TOL
Chemical Name:
Benzenepropanoic acid, dibromo-
CAS Number:
89189-59-3
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
MDL Number:
MFCD18394576
IUPAC Name:
3-(2,3-dibromophenyl)propanoic acid
InChI:
InChI=1S/C9H8Br2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-3H,4-5H2,(H,12,13)
InChI Key:
YJZYPZACUFTIIA-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc(c1Br)Br
EC Number:
303-624-4
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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