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165538-35-2 | Propanoic acid, 3-(2-bromophenoxy)-
CAS No: 165538-35-2 Catalog No: AG001W6S MDL No:MFCD02295726
Product Description
Catalog Number:
AG001W6S
Chemical Name:
Propanoic acid, 3-(2-bromophenoxy)-
CAS Number:
165538-35-2
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD02295726
IUPAC Name:
3-(2-bromophenoxy)propanoic acid
InChI:
InChI=1S/C9H9BrO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key:
YRCVMOJOHSPJGU-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1ccccc1Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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