Home Halogens methyl 4-(2-bromoethynyl)benzoate

methyl 4-(2-bromoethynyl)benzoate

CAS No.:
225928-10-9
Catalog Number:
AG00BI5E
Molecular Formula:
C10H7BrO2
Molecular Weight:
239.0654
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Product Description
Catalog Number:
AG00BI5E
Chemical Name:
methyl 4-(2-bromoethynyl)benzoate
CAS Number:
225928-10-9
Molecular Formula:
C10H7BrO2
Molecular Weight:
239.0654
MDL Number:
MFCD16251110
IUPAC Name:
methyl 4-(2-bromoethynyl)benzoate
InChI:
InChI=1S/C10H7BrO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,1H3
InChI Key:
LVAXOQWVIMIKSJ-UHFFFAOYSA-N
SMILES:
BrC#Cc1ccc(cc1)C(=O)OC
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.963g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.068g/mol
Monoisotopic Mass:
237.963g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties