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88039-53-6 | 2-Butenoic acid, 2-(bromomethyl)-, 1-methylethyl ester, (Z)-
CAS No: 88039-53-6 Catalog No: AG004MOP MDL No:
Product Description
Catalog Number:
AG004MOP
Chemical Name:
2-Butenoic acid, 2-(bromomethyl)-, 1-methylethyl ester, (Z)-
CAS Number:
88039-53-6
Molecular Formula:
C8H13BrO2
Molecular Weight:
221.0916
IUPAC Name:
propan-2-yl 2-(bromomethyl)but-2-enoate
InChI:
InChI=1S/C8H13BrO2/c1-4-7(5-9)8(10)11-6(2)3/h4,6H,5H2,1-3H3
InChI Key:
TVBNEWUHNOCGLS-UHFFFAOYSA-N
SMILES:
C/C=C(/C(=O)OC(C)C)\CBr
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.094g/mol
Monoisotopic Mass:
220.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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