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89276-32-4 | Butanoic acid, 4-bromo-, (3-methyl-3-oxetanyl)methyl ester
CAS No: 89276-32-4 Catalog No: AG00416U MDL No:
Product Description
Catalog Number:
AG00416U
Chemical Name:
Butanoic acid, 4-bromo-, (3-methyl-3-oxetanyl)methyl ester
CAS Number:
89276-32-4
Molecular Formula:
C9H15BrO3
Molecular Weight:
251.1176
IUPAC Name:
(3-methyloxetan-3-yl)methyl 4-bromobutanoate
InChI:
InChI=1S/C9H15BrO3/c1-9(5-12-6-9)7-13-8(11)3-2-4-10/h2-7H2,1H3
InChI Key:
HNBIFGQREYPHMU-UHFFFAOYSA-N
SMILES:
BrCCCC(=O)OCC1(C)COC1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.12g/mol
Monoisotopic Mass:
250.02g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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