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101272-04-2 | 4(3H)-Quinazolinone, 6-bromo-3-(2-methoxyphenyl)-2-methyl-
CAS No: 101272-04-2 Catalog No: AG00043M MDL No:
Product Description
Catalog Number:
AG00043M
Chemical Name:
4(3H)-Quinazolinone, 6-bromo-3-(2-methoxyphenyl)-2-methyl-
CAS Number:
101272-04-2
Molecular Formula:
C16H13BrN2O2
Molecular Weight:
345.1906
IUPAC Name:
6-bromo-3-(2-methoxyphenyl)-2-methylquinazolin-4-one
InChI:
InChI=1S/C16H13BrN2O2/c1-10-18-13-8-7-11(17)9-12(13)16(20)19(10)14-5-3-4-6-15(14)21-2/h3-9H,1-2H3
InChI Key:
CBTFIIUIGOJLGR-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1c(C)nc2c(c1=O)cc(cc2)Br
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.016g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.196g/mol
Monoisotopic Mass:
344.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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