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Home > Nitro Compounds > 1795138-17-8
1795138-17-8 | 3-(5-Nitro-2-thiophene)acrylicAcid-d4SulfadimidineAmide
CAS No: 1795138-17-8 Catalog No: AG01E344 MDL No:
Product Description
Catalog Number:
AG01E344
Chemical Name:
3-(5-Nitro-2-thiophene)acrylicAcid-d4SulfadimidineAmide
CAS Number:
1795138-17-8
IUPAC Name:
(E)-3-(5-nitrothiophen-2-yl)-N-[2,3,5,6-tetradeuterio-4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
InChI:
InChI=1S/C19H17N5O5S2/c1-12-11-13(2)21-19(20-12)23-31(28,29)16-7-3-14(4-8-16)22-17(25)9-5-15-6-10-18(30-15)24(26)27/h3-11H,1-2H3,(H,22,25)(H,20,21,23)/b9-5+/i3D,4D,7D,8D
InChI Key:
BQFCRZZSQUMLRS-SOUMXSKZSA-N
Properties
Complexity:
764
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
463.092g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
4
Molecular Weight:
463.519g/mol
Monoisotopic Mass:
463.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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