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175278-53-2 | Benzaldehyde, 4-[(2-furanylmethyl)thio]-3-nitro-
CAS No: 175278-53-2 Catalog No: AG0020V4 MDL No:MFCD00173717
Product Description
Catalog Number:
AG0020V4
Chemical Name:
Benzaldehyde, 4-[(2-furanylmethyl)thio]-3-nitro-
CAS Number:
175278-53-2
Molecular Formula:
C12H9NO4S
Molecular Weight:
263.2692
MDL Number:
MFCD00173717
IUPAC Name:
4-(furan-2-ylmethylsulfanyl)-3-nitrobenzaldehyde
InChI:
InChI=1S/C12H9NO4S/c14-7-9-3-4-12(11(6-9)13(15)16)18-8-10-2-1-5-17-10/h1-7H,8H2
InChI Key:
XJZUTZDAIMVSAR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])SCc1ccco1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.025g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.267g/mol
Monoisotopic Mass:
263.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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