AG003H08

104451-99-2 | 2-Chloro-6-fluoro-3-methylbenzaldehyde

AG003H08

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CAS Number	104451-99-2
Catalog Number	AG003H08(AGN-PC-0JVOB9)
Chemical Name	2-Chloro-6-fluoro-3-methylbenzaldehyde
IUPAC Name	2-chloro-6-fluoro-3-methylbenzaldehyde
InChI	InChI=1S/C8H6ClFO/c1-5-2-3-7(10)6(4-11)8(5)9/h2-4H,1H3
InChI Key	CSYKEPRGLYWJCW-UHFFFAOYSA-N
MDL Number	MFCD01631360
Molecular Formula	C8H6ClFO
Molecular Weight	172.5840
SMILES	O=CC1=C(F)C=CC(C)=C1Cl
Synonyms	2-Chloro-6-fluoro-3-methylbenzaldehyde, 104451-99-2, 2-Chloro-6-fluoro-m-tolualdehyde, MFCD01631360, 2-Chloro-6-Fluoro-3-Methyl-Benzaldehyde, Benzaldehyde,2-chloro-6-fluoro-3-methyl-, ACMC-20anyq, PubChem2882, AC1LEHW3, SCHEMBL828218, AC1Q2M45, CTK4A3053, DTXSID20352997, CSYKEPRGLYWJCW-UHFFFAOYSA-N, ZINC157230, JRD-1041, ZX-AP006012, FCH931711, PC0093, SBB003827, AKOS005258334, MCULE-3690907399, VZ24326, 2-fluoro-5-methyl-6-chlorobenzaldehyde, AJ-14957, AS-35842, CC-10104, ZB006611, AX8005872, Benzaldehyde, 2-chloro-6-fluoro-3-methyl-, DB-040545, TR-000988, FT-0611845, ST24040402, ST50825031, Y3585, 2-chloranyl-6-fluoranyl-3-methyl-benzaldehyde, C-5912, A800981, C-05628, I01-5250, 2 - Chloro - 6 - fluoro - 3 - methylbenzaldehyde, C8H6ClFO, CID736334, ZINC00157230,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.583g/mol
Monoisotopic Mass	172.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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