7-Bromo-2-chlorothieno[3,2-d]pyrimidine - CAS 1152475-42-7

Catalog:	BB072122
Product Name:	7-Bromo-2-chlorothieno[3,2-d]pyrimidine
CAS:	1152475-42-7
Synonyms:	7-Bromo-2-chlorothieno[3,2-d]pyrimidine; Thieno[3,2-d]pyrimidine, 7-bromo-2-chloro-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	7-bromo-2-chlorothieno[3,2-d]pyrimidine
Description:	7-Bromo-2-chlorothieno[3,2-d]pyrimidine
Molecular Weight:	249.52
Molecular Formula:	C6H2BrClN2S
Canonical SMILES:	C1=C2C(=NC(=N1)Cl)C(=CS2)Br
InChI:	InChI=1S/C6H2BrClN2S/c7-3-2-11-4-1-9-6(8)10-5(3)4/h1-2H
InChI Key:	OJKRQQNUFWOJAV-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.88106
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.88106
Rotatable Bond Count:	0
Topological Polar Surface Area:	54Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3