AG003J8K

3411-03-8 | 3-Chloro-4-methylbenzaldehyde

AG003J8K

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CAS Number	3411-03-8
Catalog Number	AG003J8K(AGN-PC-0O93WL)
Chemical Name	3-Chloro-4-methylbenzaldehyde
IUPAC Name	3-chloro-4-methylbenzaldehyde
InChI	InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3
InChI Key	OJFQNFVCICBYQC-UHFFFAOYSA-N
MDL Number	MFCD06411284
Molecular Formula	C8H7ClO
Molecular Weight	154.5936
SMILES	O=CC1=CC=C(C)C(Cl)=C1
Synonyms	3-Chloro-4-methylbenzaldehyde, 3411-03-8, 3-Chloro-4-methylbenzaldehyde, 97%, isobornylcyclohexanol, PubChem4183, 2-Chloro-4-formyltoluene, KSC497M3L, SCHEMBL980697, ACMC-209w73, CTK3J7635, KS-00000NJV, KS-00003QOU, DTXSID80497555, OJFQNFVCICBYQC-UHFFFAOYSA-N, Benzaldehyde, 3-chloro-4-methyl-, ACT00863, ANW-45997, CL8313, MFCD06411284, SBB064899, ZINC12956511, AKOS009157761, AS02998, PS-3639, TF10304, TRA0081015, NCGC00184189-01, AJ-63232, AK-61770, CJ-14269, SC-43403, SY109951, DB-023641, RT-003937, ST2405021, FT-0655249, W5560, MFCD06411284 (97%), 3-(5,6,6-Trimethyl-2-norbornyl)-cyclohexanol, Fri Mar 08 00:00:00 CST 3411, K-0049, 411C038, I01-6257, J-019452, C8H7ClO, A1652, 3-(5,5,6-Trimethylbicyclo(2.2.1)hept-2-yl)cyclohexan-1-ol,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.019g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.593g/mol
Monoisotopic Mass	154.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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