AG00252X

177034-24-1 | Benzaldehyde, 4-chloro-2-fluoro-5-methoxy-

AG00252X

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CAS Number	177034-24-1
Catalog Number	AG00252X(AGN-PC-003128)
Chemical Name	Benzaldehyde, 4-chloro-2-fluoro-5-methoxy-
IUPAC Name	4-chloro-2-fluoro-5-methoxybenzaldehyde
InChI	InChI=1S/C8H6ClFO2/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-4H,1H3
InChI Key	XWPDQEBSWPVPKG-UHFFFAOYSA-N
MDL Number	MFCD05863886
Molecular Formula	C8H6ClFO2
Molecular Weight	188.5834
SMILES	O=CC1=CC(OC)=C(Cl)C=C1F
Synonyms	4-chloro-2-fluoro-5-methoxybenzaldehyde, 177034-24-1, 4-Chloro-2-Fluoro-5-Methoxy Benzaldehyde, 4-chloro-2-fluoro-5-methoxy-benzaldehyde, Benzaldehyde, 4-chloro-2-fluoro-5-methoxy-, SCHEMBL836861, CTK4D6399, KS-00001AHX, DTXSID40565582, XWPDQEBSWPVPKG-UHFFFAOYSA-N, AC1Q4896, ACT05605, ZINC2559483, MFCD05863886, AKOS006220670, AC-9244, AN-7200, AJ-40273, AM803362, AS-37332, SC-21175, AB0075757, Benzaldehyde,4-chloro-2-fluoro-5-methoxy-, RT-009555, FT-0692444, 4-chloranyl-2-fluoranyl-5-methoxy-benzaldehyde, A-2046, 034C241, A803667, 4-chloro-2-fluoro-5-methoxy benzaldehyde, AldrichCPR, I14-33232, A13400, 116759-33-2,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.582g/mol
Monoisotopic Mass	188.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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