Home Halogens Methyl 4-(3-bromopropyl)benzoate

Methyl 4-(3-bromopropyl)benzoate

CAS No.:
113100-86-0
Catalog Number:
AG007RBW
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
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Product Description
Catalog Number:
AG007RBW
Chemical Name:
Methyl 4-(3-bromopropyl)benzoate
CAS Number:
113100-86-0
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD14708223
IUPAC Name:
methyl 4-(3-bromopropyl)benzoate
InChI:
InChI=1S/C11H13BrO2/c1-14-11(13)10-6-4-9(5-7-10)3-2-8-12/h4-7H,2-3,8H2,1H3
InChI Key:
VMHPVAWXMHRICK-UHFFFAOYSA-N
SMILES:
BrCCCc1ccc(cc1)C(=O)OC
Properties
Complexity:
174  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties