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83014-81-7 | 3(2H)-Isoxazolone, 5-(bromomethyl)-4-chloro-
CAS No: 83014-81-7 Catalog No: AG0053LM MDL No:
Product Description
Catalog Number:
AG0053LM
Chemical Name:
3(2H)-Isoxazolone, 5-(bromomethyl)-4-chloro-
CAS Number:
83014-81-7
Molecular Formula:
C4H3BrClNO2
Molecular Weight:
212.4291
IUPAC Name:
5-(bromomethyl)-4-chloro-1,2-oxazol-3-one
InChI:
InChI=1S/C4H3BrClNO2/c5-1-2-3(6)4(8)7-9-2/h1H2,(H,7,8)
InChI Key:
WJHVLYYBABXTPA-UHFFFAOYSA-N
SMILES:
BrCc1o[nH]c(=O)c1Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.904g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.427g/mol
Monoisotopic Mass:
210.904g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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