AG0039WN

881190-46-1 | 3,4-Difluoro-5-methoxybenzaldehyde

AG0039WN

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CAS Number	881190-46-1
Catalog Number	AG0039WN(AGN-PC-05W59Y)
Chemical Name	3,4-Difluoro-5-methoxybenzaldehyde
IUPAC Name	3,4-difluoro-5-methoxybenzaldehyde
InChI	InChI=1S/C8H6F2O2/c1-12-7-3-5(4-11)2-6(9)8(7)10/h2-4H,1H3
InChI Key	FUBGAZPSMRFXLZ-UHFFFAOYSA-N
MDL Number	MFCD00012528
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	FC=1C=C(C=O)C=C(C1F)OC
Synonyms	3,4-Difluoro-5-methoxybenzaldehyde, 881190-46-1, 4,5-Difluoro-3-methoxybenzaldehyde, BENZALDEHYDE, 3,4-DIFLUORO-5-METHOXY-, SCHEMBL5200065, CTK6J5898, DTXSID80654222, FUBGAZPSMRFXLZ-UHFFFAOYSA-N, KS-000011IL, ZINC2539967, CL8295, MFCD04972450, AKOS006227922, AB21036, DS-7306, AJ-38959, AK141747, ST24041149, X-3389,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.034g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.131g/mol
Monoisotopic Mass	172.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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