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113933-16-7 | Propanoic acid, 2-bromo-3-(phenylmethoxy)-, methyl ester
CAS No: 113933-16-7 Catalog No: AG000A40 MDL No:
Product Description
Catalog Number:
AG000A40
Chemical Name:
Propanoic acid, 2-bromo-3-(phenylmethoxy)-, methyl ester
CAS Number:
113933-16-7
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
IUPAC Name:
methyl 2-bromo-3-phenylmethoxypropanoate
InChI:
InChI=1S/C11H13BrO3/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChI Key:
KBWIIBVKXVUCIV-UHFFFAOYSA-N
SMILES:
COC(=O)C(COCc1ccccc1)Br
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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