200,000+ products from a single source!
sales@angenechem.com
122552-44-7 | Butanoic acid, 2-bromo-3-methoxy-3-(2-propyn-1-yloxy)-, ethyl ester
CAS No: 122552-44-7 Catalog No: AG0017G6 MDL No:
Product Description
Catalog Number:
AG0017G6
Chemical Name:
Butanoic acid, 2-bromo-3-methoxy-3-(2-propyn-1-yloxy)-, ethyl ester
CAS Number:
122552-44-7
Molecular Formula:
C10H15BrO4
Molecular Weight:
279.1277
IUPAC Name:
ethyl 2-bromo-3-methoxy-3-prop-2-ynoxybutanoate
InChI:
InChI=1S/C10H15BrO4/c1-5-7-15-10(3,13-4)8(11)9(12)14-6-2/h1,8H,6-7H2,2-4H3
InChI Key:
ZYGUPFAZLMMLGP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(OCC#C)(OC)C)Br
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.13g/mol
Monoisotopic Mass:
278.015g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.