Home Halogens (2S)-2-(4-bromophenoxy)propanoic acid

(2S)-2-(4-bromophenoxy)propanoic acid

CAS No.:
37819-43-5
Catalog Number:
AG01B7OF
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
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Product Description
Catalog Number:
AG01B7OF
Chemical Name:
(2S)-2-(4-bromophenoxy)propanoic acid
CAS Number:
37819-43-5
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD29906759
IUPAC Name:
(2S)-2-(4-bromophenoxy)propanoic acid
InChI:
InChI=1S/C9H9BrO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)/t6-/m0/s1
InChI Key:
IWXNSVLXICBLHY-LURJTMIESA-N
SMILES:
C[C@@H](C(=O)O)Oc1ccc(cc1)Br
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties