Benzoic acid, 4-(1-bromoethyl)-, methyl ester


Chemical Name: Benzoic acid, 4-(1-bromoethyl)-, methyl ester
CAS Number: 16281-97-3
Product Number: AG001TFP(AGN-PC-0NINV6)
Synonyms:
MDL No:
Molecular Formula: C10H11BrO2
Molecular Weight: 243.0971

Identification/Properties


Computed Properties
Molecular Weight:
243.1g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
241.994g/mol
Monoisotopic Mass:
241.994g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
174
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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