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17518-98-8 | 4(3H)-Quinazolinone, 7-bromo-6-chloro-
CAS No: 17518-98-8 Catalog No: AG0020DP MDL No:MFCD10000555
Product Description
Catalog Number:
AG0020DP
Chemical Name:
4(3H)-Quinazolinone, 7-bromo-6-chloro-
CAS Number:
17518-98-8
Molecular Formula:
C8H4BrClN2O
Molecular Weight:
259.4872
MDL Number:
MFCD10000555
IUPAC Name:
7-bromo-6-chloro-3H-quinazolin-4-one
InChI:
InChI=1S/C8H4BrClN2O/c9-5-2-7-4(1-6(5)10)8(13)12-3-11-7/h1-3H,(H,11,12,13)
InChI Key:
RFCXXKWROOFQSI-UHFFFAOYSA-N
SMILES:
Brc1cc2nc[nH]c(=O)c2cc1Cl
EC Number:
634-004-4
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.92g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.487g/mol
Monoisotopic Mass:
257.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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