5-bromo-N-methylthiophene-2-carboxamide

5-bromo-N-methylthiophene-2-carboxamide

CAS: 98453-26-0

Formula: C6H6BrNOS

SMILES: CNC(=O)C1=CC=C(Br)S1

IUPAC: 5-bromo-N-methylthiophene-2-carboxamide

InChI: InChI=1S/C6H6BrNOS/c1-8-6(9)4-2-3-5(7)10-4/h2-3H,1H3,(H,8,9)

Composition: C (32.74%), H (2.75%), Br (36.31%), N (6.36%), O (7.27%), S (14.57%)

Molar Mass: 220.08

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.935348
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	AACIFRQMXAAYAM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.71
Topological Polar Surface Area	29.1
Polarizability	16.75
Ring Count	1
Rotatable Bond Count	1

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