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2940-68-3 | 4(3H)-Quinazolinone, 3-(2-chloroethyl)-
CAS No: 2940-68-3 Catalog No: AG002Y9P MDL No:MFCD02729221
Product Description
Catalog Number:
AG002Y9P
Chemical Name:
4(3H)-Quinazolinone, 3-(2-chloroethyl)-
CAS Number:
2940-68-3
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD02729221
IUPAC Name:
3-(2-chloroethyl)quinazolin-4-one
InChI:
InChI=1S/C10H9ClN2O/c11-5-6-13-7-12-9-4-2-1-3-8(9)10(13)14/h1-4,7H,5-6H2
InChI Key:
NJCVGJQMNUHBCF-UHFFFAOYSA-N
SMILES:
ClCCn1cnc2c(c1=O)cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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