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126771-41-3 | Acetic acid, 2-[4-(bromomethyl)phenoxy]-
CAS No: 126771-41-3 Catalog No: AG000T7L MDL No:
Product Description
Catalog Number:
AG000T7L
Chemical Name:
Acetic acid, 2-[4-(bromomethyl)phenoxy]-
CAS Number:
126771-41-3
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
IUPAC Name:
2-[4-(bromomethyl)phenoxy]acetic acid
InChI:
InChI=1S/C9H9BrO3/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key:
COFFWUSSQYARLB-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)OCC(=O)O
Properties
Complexity:
164
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:
2.1
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