Home Halogens 4(1H)-Quinazolinone, 2-(chloromethyl)-5,6,7,8-tetrahydro-

4(1H)-Quinazolinone, 2-(chloromethyl)-5,6,7,8-tetrahydro-

CAS No.:
145475-35-0
Catalog Number:
AG00HXFI
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
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Product Description
Catalog Number:
AG00HXFI
Chemical Name:
4(1H)-Quinazolinone, 2-(chloromethyl)-5,6,7,8-tetrahydro-
CAS Number:
145475-35-0
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
MDL Number:
MFCD20627037
IUPAC Name:
2-(chloromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
InChI:
InChI=1S/C9H11ClN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-5H2,(H,11,12,13)
InChI Key:
YOEVSDYLLYABRV-UHFFFAOYSA-N
SMILES:
ClCc1nc2CCCCc2c(=O)[nH]1
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.65g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties