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88991-50-8 | 5(4H)-Oxazolone, 4-[(5-bromo-2-thienyl)methylene]-2-methyl-, (Z)-
CAS No: 88991-50-8 Catalog No: AG00451U MDL No:
Product Description
Catalog Number:
AG00451U
Chemical Name:
5(4H)-Oxazolone, 4-[(5-bromo-2-thienyl)methylene]-2-methyl-, (Z)-
CAS Number:
88991-50-8
Molecular Formula:
C9H6BrNO2S
Molecular Weight:
272.1184
IUPAC Name:
4-[(5-bromothiophen-2-yl)methylidene]-2-methyl-1,3-oxazol-5-one
InChI:
InChI=1S/C9H6BrNO2S/c1-5-11-7(9(12)13-5)4-6-2-3-8(10)14-6/h2-4H,1H3
InChI Key:
WWHIQAMCGHDCNY-UHFFFAOYSA-N
SMILES:
CC1=N/C(=C\c2ccc(s2)Br)/C(=O)O1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.93g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.116g/mol
Monoisotopic Mass:
270.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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