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887592-14-5 | Quinazoline,7-bromo-4-chloro-2-(1-methylethyl)-
CAS No: 887592-14-5 Catalog No: AG004BIY MDL No:
Product Description
Catalog Number:
AG004BIY
Chemical Name:
Quinazoline,7-bromo-4-chloro-2-(1-methylethyl)-
CAS Number:
887592-14-5
Molecular Formula:
C11H10BrClN2
Molecular Weight:
285.5675
IUPAC Name:
7-bromo-4-chloro-2-propan-2-ylquinazoline
InChI:
InChI=1S/C11H10BrClN2/c1-6(2)11-14-9-5-7(12)3-4-8(9)10(13)15-11/h3-6H,1-2H3
InChI Key:
UKVPMUMFQNOIJG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nc(nc2Cl)C(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.972g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.569g/mol
Monoisotopic Mass:
283.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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