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864685-36-9 | Acetic acid,2-[4-(bromomethyl)-2-chlorophenoxy]-, methyl ester
CAS No: 864685-36-9 Catalog No: AG004MS6 MDL No:
Product Description
Catalog Number:
AG004MS6
Chemical Name:
Acetic acid,2-[4-(bromomethyl)-2-chlorophenoxy]-, methyl ester
CAS Number:
864685-36-9
Molecular Formula:
C10H10BrClO3
Molecular Weight:
293.5416
IUPAC Name:
methyl 2-[4-(bromomethyl)-2-chlorophenoxy]acetate
InChI:
InChI=1S/C10H10BrClO3/c1-14-10(13)6-15-9-3-2-7(5-11)4-8(9)12/h2-4H,5-6H2,1H3
InChI Key:
LBSIWCCORIORCF-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccc(cc1Cl)CBr
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.541g/mol
Monoisotopic Mass:
291.95g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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