AG00IJEP

957207-09-9 | (4-Bromo-3-(Trifluoromethyl)Phenyl)Methanol

AG00IJEP

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CAS Number	957207-09-9
Catalog Number	AG00IJEP(AGN-PC-0WNQVD)
Chemical Name	(4-Bromo-3-(Trifluoromethyl)Phenyl)Methanol
IUPAC Name	[4-bromo-3-(trifluoromethyl)phenyl]methanol
InChI	InChI=1S/C8H6BrF3O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3,13H,4H2
InChI Key	JZNXJKZTUXTCPS-UHFFFAOYSA-N
MDL Number	MFCD08059129
Molecular Formula	C8H6BrF3O
Molecular Weight	255.0318
SMILES	OCC1=CC=C(Br)C(C(F)(F)F)=C1
Synonyms	957207-09-9, (4-Bromo-3-(trifluoromethyl)phenyl)methanol, 4-Bromo-3-(trifluoromethyl)benzyl alcohol, [4-Bromo-3-(trifluoromethyl)phenyl]methanol, ACMC-209s4u, SCHEMBL2094824, CTK8A2776, DTXSID70672894, JZNXJKZTUXTCPS-UHFFFAOYSA-N, KS-00003R2J, ANW-40732, MFCD08059129, SBB101529, ZINC36533746, AKOS016008307, AM84226, PS-7418, 2-Bromo-5-(hydroxymethyl)benzotrifluoride, AJ-93259, AB0043292, RT-009501, CS-0030504, ST24034620, Z1197, Benzenemethanol, 4-bromo-3-(trifluoromethyl)-, Q-8982, [4-bromo-3-(trifluoromethyl)phenyl]methan-1-ol, C8H6BrF3O,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.955g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.034g/mol
Monoisotopic Mass	253.955g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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