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146795-41-7 | 3-Thiophenecarboxamide, N-(4-bromophenyl)-5-nitro-
CAS No: 146795-41-7 Catalog No: AG001ECG MDL No:
Product Description
Catalog Number:
AG001ECG
Chemical Name:
3-Thiophenecarboxamide, N-(4-bromophenyl)-5-nitro-
CAS Number:
146795-41-7
Molecular Formula:
C11H7BrN2O3S
Molecular Weight:
327.1539
IUPAC Name:
N-(4-bromophenyl)-5-nitrothiophene-3-carboxamide
InChI:
InChI=1S/C11H7BrN2O3S/c12-8-1-3-9(4-2-8)13-11(15)7-5-10(14(16)17)18-6-7/h1-6H,(H,13,15)
InChI Key:
DKCZJPMXAOBZCT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.936g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.152g/mol
Monoisotopic Mass:
325.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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