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13182-64-4 | 4(3H)-Quinazolinone, 2-(1-methylethyl)-
CAS No: 13182-64-4 Catalog No: AG000ZSG MDL No:MFCD03216800
Product Description
Catalog Number:
AG000ZSG
Chemical Name:
4(3H)-Quinazolinone, 2-(1-methylethyl)-
CAS Number:
13182-64-4
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD03216800
IUPAC Name:
2-propan-2-yl-3H-quinazolin-4-one
InChI:
InChI=1S/C11H12N2O/c1-7(2)10-12-9-6-4-3-5-8(9)11(14)13-10/h3-7H,1-2H3,(H,12,13,14)
InChI Key:
NJUQWDLNMJVYMV-UHFFFAOYSA-N
SMILES:
CC(c1nc2ccccc2c(=O)[nH]1)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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