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144329-43-1 | 2-Butanone, 3-bromo-4-(phenylmethoxy)-
CAS No: 144329-43-1 Catalog No: AG001JBH MDL No:
Product Description
Catalog Number:
AG001JBH
Chemical Name:
2-Butanone, 3-bromo-4-(phenylmethoxy)-
CAS Number:
144329-43-1
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
IUPAC Name:
3-bromo-4-phenylmethoxybutan-2-one
InChI:
InChI=1S/C11H13BrO2/c1-9(13)11(12)8-14-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChI Key:
DTHWHRXWVGXLFM-UHFFFAOYSA-N
SMILES:
BrC(C(=O)C)COCc1ccccc1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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