AG00DBAN

55496-69-0 | 4-Chloro-7-methoxy-6-nitroquinazoline

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CAS Number	55496-69-0
Catalog Number	AG00DBAN(AGN-PC-0N5B2M)
Chemical Name	4-Chloro-7-methoxy-6-nitroquinazoline
IUPAC Name	4-chloro-7-methoxy-6-nitroquinazoline
InChI	InChI=1S/C9H6ClN3O3/c1-16-8-3-6-5(2-7(8)13(14)15)9(10)12-4-11-6/h2-4H,1H3
InChI Key	MJFJWOAETHEGGW-UHFFFAOYSA-N
MDL Number	MFCD11869864
Molecular Formula	C9H6ClN3O3
Molecular Weight	239.6152
SMILES	COC1=C(C=C2C(Cl)=NC=NC2=C1)[N+]([O-])=O
Synonyms	4-chloro-7-methoxy-6-nitroquinazoline, 55496-69-0, AK-86968, 4-chloro-7-methoxy-6-nitro-quinazoline, SCHEMBL159761, CTK8B7484, KS-00001DKA, DTXSID70440792, MJFJWOAETHEGGW-UHFFFAOYSA-N, CS-B1283, ANW-57458, CC-867, MFCD11869864, ZINC31777071, AKOS016001555, SB13583, AJ-84356, BC256290, CS-13108, AX8166566, ST2405741, TC-146203, 4CH-018887, FT-0698587, ACN-039750, CID10490187, 3-(4-Boc-piperazin-1-yl-methyl)-5-trifluoromethylaniline,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.01g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.615g/mol
Monoisotopic Mass	239.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	80.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number