2,4-Dichloropyrido[3,2-d]pyrimidine - CAS 39551-54-7

Catalog:	BB067960
Product Name:	2,4-Dichloropyrido[3,2-d]pyrimidine
CAS:	39551-54-7
Synonyms:	2,4-DICHLOROPYRIDO[3,2-D]PYRIMIDINE; PYRIDO[3,2-D]PYRIMIDINE, 2,4-DICHLORO-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2,4-dichloropyrido[3,2-d]pyrimidine
Description:	2,4-Dichloropyrido[3,2-d]pyrimidine
Molecular Weight:	200.03
Molecular Formula:	C7H3Cl2N3
Canonical SMILES:	C1=CC2=C(C(=NC(=N2)Cl)Cl)N=C1
InChI:	InChI=1S/C7H3Cl2N3/c8-6-5-4(2-1-3-10-5)11-7(9)12-6/h1-3H
InChI Key:	UVVFNZJVLRJSMW-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:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.9704025
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.9704025
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5