Home Halogens methyl 3-(3-bromophenyl)prop-2-ynoate

methyl 3-(3-bromophenyl)prop-2-ynoate

CAS No.:
204459-05-2
Catalog Number:
AG01B5G9
Molecular Formula:
C10H7BrO2
Molecular Weight:
239.0654
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Product Description
Catalog Number:
AG01B5G9
Chemical Name:
methyl 3-(3-bromophenyl)prop-2-ynoate
CAS Number:
204459-05-2
Molecular Formula:
C10H7BrO2
Molecular Weight:
239.0654
MDL Number:
MFCD20347223
IUPAC Name:
methyl 3-(3-bromophenyl)prop-2-ynoate
InChI:
InChI=1S/C10H7BrO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-4,7H,1H3
InChI Key:
QAVFWERMIWOLBM-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1cccc(c1)Br
Properties
Complexity:
248  
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:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties