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287193-30-0 | Acetamide, 2-chloro-N-[3-(4-chloro-6-quinazolinyl)-2-propyn-1-yl]-
CAS No: 287193-30-0 Catalog No: AG002W9A MDL No:
Product Description
Catalog Number:
AG002W9A
Chemical Name:
Acetamide, 2-chloro-N-[3-(4-chloro-6-quinazolinyl)-2-propyn-1-yl]-
CAS Number:
287193-30-0
Molecular Formula:
C13H9Cl2N3O
Molecular Weight:
294.1361
IUPAC Name:
2-chloro-N-[3-(4-chloroquinazolin-6-yl)prop-2-ynyl]acetamide
InChI:
InChI=1S/C13H9Cl2N3O/c14-7-12(19)16-5-1-2-9-3-4-11-10(6-9)13(15)18-8-17-11/h3-4,6,8H,5,7H2,(H,16,19)
InChI Key:
NVQSYCZPMFWIJH-UHFFFAOYSA-N
SMILES:
ClCC(=O)NCC#Cc1ccc2c(c1)c(Cl)ncn2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.012g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.135g/mol
Monoisotopic Mass:
293.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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