AG003CVZ

321318-21-2 | Benzenemethanol, 3,4-difluoro-alpha-methyl- (9CI)

AG003CVZ

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CAS Number	321318-21-2
Catalog Number	AG003CVZ(AGN-PC-0029TD)
Chemical Name	Benzenemethanol, 3,4-difluoro-alpha-methyl- (9CI)
IUPAC Name	1-(3,4-difluorophenyl)ethanol
InChI	InChI=1S/C8H8F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,1H3
InChI Key	WSIJRUFDDILTTN-UHFFFAOYSA-N
MDL Number	MFCD08442288
Molecular Formula	C8H8F2O
Molecular Weight	158.1453
SMILES	CC(O)C1=CC=C(F)C(F)=C1
Synonyms	1-(3,4-DIFLUOROPHENYL)ETHANOL, 321318-21-2, 1-(3,4-difluorophenyl)ethan-1-ol, (S)-1-(3,4-DIFLUOROPHENYL)ETHANOL, AC1Q2BSK, SCHEMBL2001014, CTK4G8265, 3,4-Difluoro-a-methylbenzyl alcohol, 4919AJ, AKOS000125359, AKOS022183594, MCULE-9659718067, TRA0082936, Benzenemethanol,3,4-difluoro-a-methyl-, AK-82395, AS-32601, SY005063, AB0053037, RT-005982, FT-0690636, EN300-49934, Z-3901, MFCD08442288 (97+%), Z228586306, C8H8F2O, (R)-1-(3,4-Difluorophenyl)ethanol, 126534-41-6, 126534-40-5,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.054g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.148g/mol
Monoisotopic Mass	158.054g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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