200,000+ products from a single source!
sales@angenechem.com
833445-84-4 | ALLYL 5-(BROMOMETHYL)ISOXAZOLE-3-CARBOXYLATE
CAS No: 833445-84-4 Catalog No: AG0055SZ MDL No:
Product Description
Catalog Number:
AG0055SZ
Chemical Name:
ALLYL 5-(BROMOMETHYL)ISOXAZOLE-3-CARBOXYLATE
CAS Number:
833445-84-4
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
IUPAC Name:
prop-2-enyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C8H8BrNO3/c1-2-3-12-8(11)7-4-6(5-9)13-10-7/h2,4H,1,3,5H2
InChI Key:
NQQLQOYPMBTEMD-UHFFFAOYSA-N
SMILES:
BrCc1cc(no1)C(=O)OCC=C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.