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Home > Aldehydes > 920536-43-2
920536-43-2 | 2-Furancarboxaldehyde, 5-[(5-chloro-2-benzoxazolyl)thio]-
CAS No: 920536-43-2 Catalog No: AG0060IE MDL No:
Product Description
Catalog Number:
AG0060IE
Chemical Name:
2-Furancarboxaldehyde, 5-[(5-chloro-2-benzoxazolyl)thio]-
CAS Number:
920536-43-2
Molecular Formula:
C12H6ClNO3S
Molecular Weight:
279.6989
IUPAC Name:
5-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]furan-2-carbaldehyde
InChI:
InChI=1S/C12H6ClNO3S/c13-7-1-3-10-9(5-7)14-12(17-10)18-11-4-2-8(6-15)16-11/h1-6H
InChI Key:
RQPHPFARCZGKTR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)Sc1nc2c(o1)ccc(c2)Cl
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.976g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.694g/mol
Monoisotopic Mass:
278.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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