Home Other Building Blocks 2-PROPYNOIC ACID, 3-(4-BROMOPHENYL)-, METHYL ESTER

2-PROPYNOIC ACID, 3-(4-BROMOPHENYL)-, METHYL ESTER

CAS No.:
42122-27-0
Catalog Number:
AG01C9TT
Molecular Formula:
C10H7BrO2
Molecular Weight:
239.0654
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Product Description
Catalog Number:
AG01C9TT
Chemical Name:
2-PROPYNOIC ACID, 3-(4-BROMOPHENYL)-, METHYL ESTER
CAS Number:
42122-27-0
Molecular Formula:
C10H7BrO2
Molecular Weight:
239.0654
MDL Number:
MFCD03230765
IUPAC Name:
methyl 3-(4-bromophenyl)prop-2-ynoate
InChI:
InChI=1S/C10H7BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,1H3
InChI Key:
WNFQGEHRFXJKKS-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1ccc(cc1)Br
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:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties