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16347-94-7 | 4(1H)-Quinazolinone, 1-butyl-
CAS No: 16347-94-7 Catalog No: AG001U55 MDL No:
Product Description
Catalog Number:
AG001U55
Chemical Name:
4(1H)-Quinazolinone, 1-butyl-
CAS Number:
16347-94-7
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
1-butylquinazolin-4-one
InChI:
InChI=1S/C12H14N2O/c1-2-3-8-14-9-13-12(15)10-6-4-5-7-11(10)14/h4-7,9H,2-3,8H2,1H3
InChI Key:
XEVUOWUIRWUKFT-UHFFFAOYSA-N
SMILES:
CCCCn1cnc(=O)c2c1cccc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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