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126430-46-4 | Butanoic acid, 4-bromo-, phenylmethyl ester
CAS No: 126430-46-4 Catalog No: AG000SSQ MDL No:MFCD00143681
Product Description
Catalog Number:
AG000SSQ
Chemical Name:
Butanoic acid, 4-bromo-, phenylmethyl ester
CAS Number:
126430-46-4
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD00143681
IUPAC Name:
benzyl 4-bromobutanoate
InChI:
InChI=1S/C11H13BrO2/c12-8-4-7-11(13)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key:
JJUJDJNFXYNOKI-UHFFFAOYSA-N
SMILES:
BrCCCC(=O)OCc1ccccc1
EC Number:
603-139-0
Properties
Complexity:
165
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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