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167213-40-3 | Propanoic acid, 2-[4-(2-bromoethyl)phenoxy]-2-methyl-, ethyl ester
CAS No: 167213-40-3 Catalog No: AG001X76 MDL No:
Product Description
Catalog Number:
AG001X76
Chemical Name:
Propanoic acid, 2-[4-(2-bromoethyl)phenoxy]-2-methyl-, ethyl ester
CAS Number:
167213-40-3
Molecular Formula:
C14H19BrO3
Molecular Weight:
315.2029
IUPAC Name:
ethyl 2-[4-(2-bromoethyl)phenoxy]-2-methylpropanoate
InChI:
InChI=1S/C14H19BrO3/c1-4-17-13(16)14(2,3)18-12-7-5-11(6-8-12)9-10-15/h5-8H,4,9-10H2,1-3H3
InChI Key:
BSARASXZMNRHDV-UHFFFAOYSA-N
SMILES:
BrCCc1ccc(cc1)OC(C(=O)OCC)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.207g/mol
Monoisotopic Mass:
314.052g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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