AG0005S2

1018678-50-6 | Benzaldehyde, 2-(difluoromethyl)-

AG0005S2

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CAS Number	1018678-50-6
Catalog Number	AG0005S2(AGN-PC-0ACAJE)
Chemical Name	Benzaldehyde, 2-(difluoromethyl)-
IUPAC Name	2-(difluoromethyl)benzaldehyde
InChI	InChI=1S/C8H6F2O/c9-8(10)7-4-2-1-3-6(7)5-11/h1-5,8H
InChI Key	LRGWXJJJRNOVQA-UHFFFAOYSA-N
MDL Number	MFCD16875639
Molecular Formula	C8H6F2O
Molecular Weight	156.1294
SMILES	O=CC1=CC=CC=C1C(F)F
Synonyms	2-(difluoromethyl)benzaldehyde, 1018678-50-6, 2-Difluoromethylbenzaldehyde, AMBZ0369, SCHEMBL1179123, DTXSID60716751, LRGWXJJJRNOVQA-UHFFFAOYSA-N, Benzaldehyde, 2-(difluoromethyl)-, 0497AA, BBL103060, MFCD16875639, STL556869, ZINC66324270, AKOS005259036, AM85447, CS-W000088, FCH1168249, PC48438, AS-50012, AJ-115983, AX8222126, X-4067, C8H6F2O,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.039g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.132g/mol
Monoisotopic Mass	156.039g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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