AG00DKE3

438050-05-6 | (3-Bromo-2,6-difluorophenyl)methanol

AG00DKE3

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CAS Number	438050-05-6
Catalog Number	AG00DKE3(AGN-PC-03MBKM)
Chemical Name	(3-Bromo-2,6-difluorophenyl)methanol
IUPAC Name	(3-bromo-2,6-difluorophenyl)methanol
InChI	InChI=1S/C7H5BrF2O/c8-5-1-2-6(9)4(3-11)7(5)10/h1-2,11H,3H2
InChI Key	VNUWCHLKAFPIDP-UHFFFAOYSA-N
MDL Number	MFCD20483917
Molecular Formula	C7H5BrF2O
Molecular Weight	223.0148
SMILES	OCC1=C(F)C=CC(Br)=C1F
Synonyms	(3-Bromo-2,6-difluorophenyl)methanol, 438050-05-6, SCHEMBL2064221, CTK8C4043, KS-00000QOL, DTXSID50623506, VNUWCHLKAFPIDP-UHFFFAOYSA-N, 3-Bromo-2,6-difluorobenzyl alcohol, 6040AB, ANW-70990, MFCD20483917, ZINC75844580, AKOS016008101, DS-4312, (3-bromo-2,6-difluoro-phenyl)-methanol, AK104791, AJ-122002, ST2402317, TC-159735, 4CH-016985, Z1973465519, C7H5BrF2O,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.949g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.017g/mol
Monoisotopic Mass	221.949g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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