AG00DD6V

52577-09-0 | 3-(chloromethyl)-p-anisaldehyde

AG00DD6V

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CAS Number	52577-09-0
Catalog Number	AG00DD6V(AGN-PC-0JLE7P)
Chemical Name	3-(chloromethyl)-p-anisaldehyde
EC Number	258-015-5
IUPAC Name	3-(chloromethyl)-4-methoxybenzaldehyde
InChI	InChI=1S/C9H9ClO2/c1-12-9-3-2-7(6-11)4-8(9)5-10/h2-4,6H,5H2,1H3
InChI Key	LNKDOOILNUKDMI-UHFFFAOYSA-N
MDL Number	MFCD00995681
Molecular Formula	C9H9ClO2
Molecular Weight	184.6196
SMILES	O=CC1=CC=C(OC)C(CCl)=C1
Synonyms	3-(Chloromethyl)-4-methoxybenzaldehyde, 52577-09-0, 3-(Chloromethyl)-p-anisaldehyde, 3-Chloromethyl-4-methoxy-benzaldehyde, Benzaldehyde, 3-(chloromethyl)-4-methoxy-, 3-Chloromethyl-4-methoxybenzaldehyde, LNKDOOILNUKDMI-UHFFFAOYSA-N, EINECS 258-015-5, BAS 02841909, AC1L2WDX, AC1Q45DI, 3-(chloromethyl)p-anisaldehyde, AC1Q6Q79, SCHEMBL2241869, DTXSID2068769, CTK4J6122, ZINC341087, ALBB-000105, 4-methoxy-3-chloromethylbenzaldehyde, 4951AE, BBL008843, MFCD00995681, SBB006784, STK051774, AKOS000308005, MCULE-3533396147, AJ-19942, Benzaldehyde,3-(chloromethyl)-4-methoxy-, ST078304, DB-032107, TR-050373, BB 0237674, FT-0735187, EN300-33409, W-7766, C9H9ClO2, C9-H9-Cl-O2, AR-1E7461, CID104237, ACN-046052, 38858-90-1, 5351-22-4,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.619g/mol
Monoisotopic Mass	184.029g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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