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177167-05-4 | 4(3H)-Quinazolinone, 6-bromo-2-(chloromethyl)-
CAS No: 177167-05-4 Catalog No: AG002559 MDL No:MFCD06347511
Product Description
Catalog Number:
AG002559
Chemical Name:
4(3H)-Quinazolinone, 6-bromo-2-(chloromethyl)-
CAS Number:
177167-05-4
Molecular Formula:
C9H6BrClN2O
Molecular Weight:
273.5137
MDL Number:
MFCD06347511
IUPAC Name:
6-bromo-2-(chloromethyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C9H6BrClN2O/c10-5-1-2-7-6(3-5)9(14)13-8(4-11)12-7/h1-3H,4H2,(H,12,13,14)
InChI Key:
YWQRRCDOIGNYEJ-UHFFFAOYSA-N
SMILES:
ClCc1nc2ccc(cc2c(=O)[nH]1)Br
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.935g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.514g/mol
Monoisotopic Mass:
271.935g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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