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79405-50-8 | Ethyl 2-bromo-3-methylbut-2-enoate
CAS No: 79405-50-8 Catalog No: AG005K6R MDL No:MFCD23135540
Product Description
Catalog Number:
AG005K6R
Chemical Name:
Ethyl 2-bromo-3-methylbut-2-enoate
CAS Number:
79405-50-8
Molecular Formula:
C7H11BrO2
Molecular Weight:
207.0650
MDL Number:
MFCD23135540
IUPAC Name:
ethyl 2-bromo-3-methylbut-2-enoate
InChI:
InChI=1S/C7H11BrO2/c1-4-10-7(9)6(8)5(2)3/h4H2,1-3H3
InChI Key:
QXBRKARECIOFMU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(C)C)Br
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.994g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.067g/mol
Monoisotopic Mass:
205.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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