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Home > Bromides > 1159976-38-1
1159976-38-1 | 2-Quinazolinecarboxylic acid, 6-bromo-4-chloro-, ethyl ester
CAS No: 1159976-38-1 Catalog No: AG000HES MDL No:
Product Description
Catalog Number:
AG000HES
Chemical Name:
2-Quinazolinecarboxylic acid, 6-bromo-4-chloro-, ethyl ester
CAS Number:
1159976-38-1
Molecular Formula:
C11H8BrClN2O2
Molecular Weight:
315.5504
IUPAC Name:
ethyl 6-bromo-4-chloroquinazoline-2-carboxylate
InChI:
InChI=1S/C11H8BrClN2O2/c1-2-17-11(16)10-14-8-4-3-6(12)5-7(8)9(13)15-10/h3-5H,2H2,1H3
InChI Key:
LVPLDTSUQVYGIZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(Cl)c2c(n1)ccc(c2)Br
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.946g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.551g/mol
Monoisotopic Mass:
313.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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