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18910-09-3

18910-09-3 | Benzenepropanoic acid, α-bromo-4-methoxy-

CAS No: 18910-09-3 Catalog No: AG002HVD MDL No:

Product Description

Catalog Number:
AG002HVD
Chemical Name:
Benzenepropanoic acid, α-bromo-4-methoxy-
CAS Number:
18910-09-3
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
IUPAC Name:
2-bromo-3-(4-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H11BrO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6H2,1H3,(H,12,13)
InChI Key:
ISAPLOPEWUATKQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(C(=O)O)Br
NSC Number:
101122

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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