AG007I84

104224-68-2 | 2-Adamantyl-4-bromophenol

AG007I84

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CAS Number	104224-68-2
Catalog Number	AG007I84(AGN-PC-0LF6GZ)
Chemical Name	2-Adamantyl-4-bromophenol
IUPAC Name	2-(1-adamantyl)-4-bromophenol
InChI	InChI=1S/C16H19BrO/c17-13-1-2-15(18)14(6-13)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,18H,3-5,7-9H2
InChI Key	NYJXKHIVLGWPCF-UHFFFAOYSA-N
MDL Number	MFCD00169077
Molecular Formula	C16H19BrO
Molecular Weight	307.2255
SMILES	OC1=CC=C(Br)C=C1C23CC4CC(C3)CC(C4)C2
Synonyms	2-(1-Adamantyl)-4-bromophenol, 104224-68-2, 2-(Adamantan-1-yl)-4-bromophenol, AK-32725, Q-200135, PubChem9473, AC1NG7H1, C16H19BrO, 2-adamantanyl-4-bromophenol, SCHEMBL178123, Jsp000428, 2-adamantan-1-yl-4-bromophenol, NYJXKHIVLGWPCF-UHFFFAOYSA-N, ZINC5248674, ANW-45530, CA-305, MFCD00169077, AKOS003368557, AB04265, AC-7764, AS-9456, MCULE-3114313624, VZ23055, 3-adamantan-1-yl-4-hydroxy-bromobenzene, AJ-53704, CC-05260, SC-46567, AX8016419, DB-019359, ST2403785, TC-134275, TL8000178, TR-000964, 4CH-018233, FT-0642564, ST45024073, X8706, A-4315, 224A682, C-19094, I14-4456, 2-ADAMANTYL-4-BROMOPHENOL, 2-(1-Adamantane)-4-bromoanisole, 2-(1-adamantyl)-4-bromo-phenol, CID4670494,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.062g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	307.231g/mol
Monoisotopic Mass	306.062g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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