AG00891X

887267-04-1 | 3,6-Difluoro-2-methoxybenzaldehyde

AG00891X

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CAS Number	887267-04-1
Catalog Number	AG00891X(AGN-PC-058CD5)
Chemical Name	3,6-Difluoro-2-methoxybenzaldehyde
IUPAC Name	3,6-difluoro-2-methoxybenzaldehyde
InChI	InChI=1S/C8H6F2O2/c1-12-8-5(4-11)6(9)2-3-7(8)10/h2-4H,1H3
InChI Key	CRIGYCXILOWIKP-UHFFFAOYSA-N
MDL Number	MFCD08275289
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	O=CC1=C(F)C=CC(F)=C1OC
Synonyms	3,6-Difluoro-2-methoxybenzaldehyde, 887267-04-1, MFCD08275289, Benzaldehyde, 3,6-difluoro-2-methoxy-, KSC496E9L, SCHEMBL1478144, CTK3J6295, DTXSID20650400, CRIGYCXILOWIKP-UHFFFAOYSA-N, KS-000011JI, ANW-46521, CL8301, SBB088586, ZINC16158107, AKOS005257597, TRA0066870, AJ-68480, AS-46014, CJ-15394, AB0027344, RT-002946, ST2404663, 4CH-000894, FT-0689787, W9168, Z-2624, C8H6F2O2,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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