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ethyl 2-(2-bromophenyl)-1,3-thiazole-4-carboxylate

ethyl 2-(2-bromophenyl)-1,3-thiazole-4-carboxylate

CAS: 885278-78-4

Formula: C12H10BrNO2S

SMILES: CCOC(=O)C1=CSC(=N1)C1=CC=CC=C1Br

IUPAC: ethyl 2-(2-bromophenyl)-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C12H10BrNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3

Composition: C (46.17%), H (3.23%), Br (25.60%), N (4.49%), O (10.25%), S (10.27%)

Molar Mass: 312.18

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 310.961563
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CPLANXDOXGJYNP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.39
Topological Polar Surface Area 39.19
Polarizability 27.5
Ring Count 2
Rotatable Bond Count 4

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