AG0027IN

183322-47-6 | 7-Quinazolinecarboxylic acid, 4-chloro-, methyl ester

AG0027IN

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CAS Number	183322-47-6
Catalog Number	AG0027IN(AGN-PC-01LR55)
Chemical Name	7-Quinazolinecarboxylic acid, 4-chloro-, methyl ester
IUPAC Name	methyl 4-chloroquinazoline-7-carboxylate
InChI	InChI=1S/C10H7ClN2O2/c1-15-10(14)6-2-3-7-8(4-6)12-5-13-9(7)11/h2-5H,1H3
InChI Key	BYHDRGRVVXBJIP-UHFFFAOYSA-N
MDL Number	MFCD08448151
Molecular Formula	C10H7ClN2O2
Molecular Weight	222.6278
SMILES	COC(C1=CC2=C(C=C1)C(=NC=N2)Cl)=O
Synonyms	Methyl 4-chloroquinazoline-7-carboxylate, 183322-47-6, 7-Quinazolinecarboxylic acid, 4-chloro-, methyl ester, AK-27604, EN300-69638, W-206309, PubChem17809, AC1Q43MM, SCHEMBL694117, CTK6J0401, KS-00000JXR, KS-00003TLU, DTXSID90590480, BYHDRGRVVXBJIP-UHFFFAOYSA-N, 4-Chloro-7-carbomethoxyquinazoline, ANW-50380, AS0011, CM-091, MFCD08448151, SC1321, ZINC35269833, AKOS008901447, PB27921, RP07337, SB10073, AJ-90908, AN-30468, BR-27604, SC-35218, SY006788, TS-03181, AB0022995, AX8026930, AX8316847, methyl 4-chloranylquinazoline-7-carboxylate, ST2419581, TC-069129, 4CH-012690, AM20060464, FT-0649798, W3973, MFCD08448151 (95%), 322M476, 4-chloro-7-quinazolinecarboxylic acid methyl ester, A812769, I14-3043, C10H7ClN2O2, ETHYL 4-CHLOROQUINAZOLINE-7-CARBOXYLATE, Methyl4-chloroquinazoline-7-carboxylate, S-6716, 942507-89-3, 1241725-79-0,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.02g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.628g/mol
Monoisotopic Mass	222.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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