AG003F0F

3817-05-8 | 2-(Chloromethyl)-4-hydroxyquinazoline

AG003F0F

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CAS Number	3817-05-8
Catalog Number	AG003F0F(AGN-PC-0JWITI)
Chemical Name	2-(Chloromethyl)-4-hydroxyquinazoline
IUPAC Name	2-(chloromethyl)-3H-quinazolin-4-one
InChI	InChI=1S/C9H7ClN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-4H,5H2,(H,11,12,13)
InChI Key	KSLWZHWJFFDMMK-UHFFFAOYSA-N
MDL Number	MFCD01927196
Molecular Formula	C9H7ClN2O
Molecular Weight	194.6177
SMILES	ClCC1=NC2=CC=CC=C2C(=O)N1
Synonyms	2-(chloromethyl)quinazolin-4(3H)-one, 3817-05-8, 2-(chloromethyl)quinazolin-4-ol, 2-(Chloromethyl)-4-hydroxyquinazoline, 2-(chloromethyl)-3H-quinazolin-4-one, 2-(Chloromethyl)-4(3H)-quinazolinone, 2-Chloromethyl-1H-quinazolin-4-one, 4(1H)-Quinazolinone, 2-(chloromethyl)-, 2-(chloromethyl)-3-hydroquinazolin-4-one, 2-Chloromethyl-quinazolin-4-ol, 4-quinazolinol, 2-(chloromethyl)-, ZERO/005214, ACMC-20agjs, PubChem16817, Enamine_004375, AC1LGC4A, AC1Q3TXO, SCHEMBL1685046, 2-(Chloromethyl)quinazlin-4-ol, CTK6H6935, CTK6H6948, KS-00001BFC, DTXSID40355985, KSLWZHWJFFDMMK-UHFFFAOYSA-N, HMS1406G19, ALBB-019774, STR07472, 2-Chloromethyl-3H-quinazolin-4-one, ANW-72374, BBL012475, MFCD00665825, SBB013238, STK578850, STK742055, ZINC17744160, 2-chloromethyl-quinazolin-4(3H)-one, 2-Chloromethylquinazoline-4(3H)-one, 2-Chloromethyl-4-(3H)-quinazolinone, AKOS000117661, AKOS005502952, AKOS028108707, 2-(chloromethyl)-1H-quinazolin-4-one, MCULE-6798737431, 2-(Chloromethyl)-4-(3H)-quinazolinone, 4(3H)-quinazolinone, 2-(chloromethyl)-, AJ-70122, ST4111294, 2-(Chloromethyl)-4(3H)-quinazolinone, 97%, 2-(chloromethyl)-3,4-dihydroquinazolin-4-one, L-3420, Z-8205, Z-8208, AI-942/13331165, A1-01408, I08-1088, F2185-0007, AR-1G4570, CID818836, 2-(chloromethyl)quinazolin-4(1H)-one, ACN-045717, 3849-01-2,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.025g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.618g/mol
Monoisotopic Mass	194.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number