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2-bromo-5-methylthiophene-3-carboxylic acid

2-bromo-5-methylthiophene-3-carboxylic acid

CAS: 221061-14-9

Formula: C6H5BrO2S

SMILES: CC1=CC(C(O)=O)=C(Br)S1

IUPAC: 2-bromo-5-methylthiophene-3-carboxylic acid

InChI: InChI=1S/C6H5BrO2S/c1-3-2-4(6(8)9)5(7)10-3/h2H,1H3,(H,8,9)

Composition: C (32.60%), H (2.28%), Br (36.14%), O (14.47%), S (14.50%)

Molar Mass: 221.07

Atom Count: 15

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 219.919364
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DZMYKWBJZZTINV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.26
Topological Polar Surface Area 37.3
Polarizability 16.25
Ring Count 1
Rotatable Bond Count 1

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