AG00CUAV

405196-14-7 | 3-(Difluoromethyl)phenol

AG00CUAV

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CAS Number	405196-14-7
Catalog Number	AG00CUAV(AGN-PC-0KKTII)
Chemical Name	3-(Difluoromethyl)phenol
IUPAC Name	3-(difluoromethyl)phenol
InChI	InChI=1S/C7H6F2O/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7,10H
InChI Key	YURSDTIXPRXFRX-UHFFFAOYSA-N
MDL Number	MFCD06657965
Molecular Formula	C7H6F2O
Molecular Weight	144.1187
SMILES	OC1=CC=CC(C(F)F)=C1
Synonyms	3-(difluoromethyl)phenol, 405196-14-7, 3-DIFLUOROMETHYLPHENOL, AC1MCH9D, 3-(difluoromethyl)-phenol, SCHEMBL872640, CTK8A0019, KS-00001BFM, DTXSID00377789, YURSDTIXPRXFRX-UHFFFAOYSA-N, MFCD06657965, ZINC15441916, AKOS006294111, AS-39504, F2147-4561, CID2769612,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.039g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	144.121g/mol
Monoisotopic Mass	144.039g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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