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Home > Aldehydes > 175278-49-6
175278-49-6 | Benzaldehyde, 4-[(4-bromophenyl)thio]-3-nitro-
CAS No: 175278-49-6 Catalog No: AG0020V8 MDL No:MFCD00173713
Product Description
Catalog Number:
AG0020V8
Chemical Name:
Benzaldehyde, 4-[(4-bromophenyl)thio]-3-nitro-
CAS Number:
175278-49-6
Molecular Formula:
C13H8BrNO3S
Molecular Weight:
338.1765
MDL Number:
MFCD00173713
IUPAC Name:
4-(4-bromophenyl)sulfanyl-3-nitrobenzaldehyde
InChI:
InChI=1S/C13H8BrNO3S/c14-10-2-4-11(5-3-10)19-13-6-1-9(8-16)7-12(13)15(17)18/h1-8H
InChI Key:
NIKKSXPLNKTMPF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])Sc1ccc(cc1)Br
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.941g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.175g/mol
Monoisotopic Mass:
336.941g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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