methyl 3-amino-6-chloro-1-benzothiophene-2-carboxylate

methyl 3-amino-6-chloro-1-benzothiophene-2-carboxylate

CAS: 35212-87-4

Formula: C10H8ClNO2S

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

IUPAC: methyl 3-amino-6-chloro-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C10H8ClNO2S/c1-14-10(13)9-8(12)6-3-2-5(11)4-7(6)15-9/h2-4H,12H2,1H3

Composition: C (49.70%), H (3.34%), Cl (14.67%), N (5.80%), O (13.24%), S (13.26%)

Molar Mass: 241.69

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	240.9964274
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QWXWNCOUMITXRA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.71
Topological Polar Surface Area	52.32
Polarizability	23.95
Ring Count	2
Rotatable Bond Count	2

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