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42287-90-1 | 3-(3-Bromophenyl)propanoic acid
CAS No: 42287-90-1 Catalog No: AG003I24 MDL No:MFCD01310792
Product Description
Catalog Number:
AG003I24
Chemical Name:
3-(3-Bromophenyl)propanoic acid
CAS Number:
42287-90-1
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD01310792
IUPAC Name:
3-(3-bromophenyl)propanoic acid
InChI:
InChI=1S/C9H9BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChI Key:
DWKWMFSWLCIMKI-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc(c1)Br
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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