AG001X5M

167158-70-5 | 4(3H)-Quinazolinone, 6-bromo-2-chloro-

AG001X5M

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CAS Number	167158-70-5
Catalog Number	AG001X5M(AGN-PC-0142CK)
Chemical Name	4(3H)-Quinazolinone, 6-bromo-2-chloro-
IUPAC Name	6-bromo-2-chloro-3H-quinazolin-4-one
InChI	InChI=1S/C8H4BrClN2O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,(H,11,12,13)
InChI Key	WZVAPPYRAGWFKW-UHFFFAOYSA-N
MDL Number	MFCD11858288
Molecular Formula	C8H4BrClN2O
Molecular Weight	259.4872
SMILES	ClC1=NC2=CC=C(Br)C=C2C(=O)N1
Synonyms	167158-70-5, 6-BROMO-2-CHLOROQUINAZOLIN-4(3H)-ONE, 6-Bromo-2-chloroquinazolin-4(1H)-one, 6-Bromo-2-chloroquinazolin-4-ol, 2-Chloro-6-Bromoquinazolin-4(3H)-One, 6-Bromo-2-chloro-4(3H)-quinazolinone, SCHEMBL3424900, SCHEMBL9952845, CTK8B6831, KS-00000ICX, DTXSID20586538, ACT09339, 8514AA, ANW-54551, MFCD11101032, ZINC26899526, AKOS016001322, VZ30662, AJ-83292, AK-63183, DA-17822, AX8167846, 4CH-018458, FT-0650709, 6-BROMO-2-CHLORO-1H-QUINAZOLIN-4-ONE, W-4371, C8H4BrClN2O, C18974, N/A,

Complexity	269
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	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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