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101494-95-5 | 4(3H)-Quinazolinone, 8-chloro-
CAS No: 101494-95-5 Catalog No: AG0004M7 MDL No:MFCD09954861
Product Description
Catalog Number:
AG0004M7
Chemical Name:
4(3H)-Quinazolinone, 8-chloro-
CAS Number:
101494-95-5
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
MDL Number:
MFCD09954861
IUPAC Name:
8-chloro-3H-quinazolin-4-one
InChI:
InChI=1S/C8H5ClN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,(H,10,11,12)
InChI Key:
JWLJDRWZFALRKE-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1nc[nH]c2=O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.591g/mol
Monoisotopic Mass:
180.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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