methyl 3-amino-5-bromo-1-benzothiophene-2-carboxylate

methyl 3-amino-5-bromo-1-benzothiophene-2-carboxylate

CAS: 1036380-75-2

Formula: C10H8BrNO2S

SMILES: COC(=O)C1=C(N)C2=CC(Br)=CC=C2S1

IUPAC: methyl 3-amino-5-bromo-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C10H8BrNO2S/c1-14-10(13)9-8(12)6-4-5(11)2-3-7(6)15-9/h2-4H,12H2,1H3

Composition: C (41.98%), H (2.82%), Br (27.92%), N (4.90%), O (11.18%), S (11.20%)

Molar Mass: 286.14

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	284.945913
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WJWGIMBQYSUCBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.53
Topological Polar Surface Area	52.32
Polarizability	24.89
Ring Count	2
Rotatable Bond Count	2

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