AG0031QM

30951-66-7 | Benzenemethanol, 3-bromo-α,α-dimethyl-

AG0031QM

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CAS Number	30951-66-7
Catalog Number	AG0031QM(AGN-PC-0R6DAQ)
Chemical Name	Benzenemethanol, 3-bromo-α,α-dimethyl-
IUPAC Name	2-(3-bromophenyl)propan-2-ol
InChI	InChI=1S/C9H11BrO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,1-2H3
InChI Key	ZRFMJMFYMQAUDO-UHFFFAOYSA-N
MDL Number	MFCD11870097
Molecular Formula	C9H11BrO
Molecular Weight	215.0870
SMILES	CC(O)(C1=CC=CC(Br)=C1)C
Synonyms	2-(3-Bromophenyl)propan-2-ol, 30951-66-7, 2-(3-bromophenyl)-2-propanol, 2-(3-Bromophenyl)propan-2-ol, 97%, ACMC-209hjh, 2-3-Bromophenylpropan-2-ol, SCHEMBL1738773, CTK4G6175, KS-00000OCW, 2-(3-bromophenyl)-propan-2-ol, DTXSID80567808, ZRFMJMFYMQAUDO-UHFFFAOYSA-N, 2-(3-bromo-phenyl)-propan-2-ol, ANW-27003, MFCD11870097, ZINC34454338, AKOS009996947, CS-W021388, DS-2069, LS10604, RP04952, AJ-88664, AK-41777, AM808045, 3-(alpha-hydroxyisopropyl)-1-bromobenzene, 2-(3-Bromophenyl)propan-2-ol, AldrichCPR, AB0040981, TC-115748, 4CH-005981, ST24032328, Y8665, Benzenemethanol, 3-bromo-alpha,alpha-dimethyl-, M-9641, A820664, I01-9857, J-505764, C9H11BrO, ACN-046621,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.999g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.09g/mol
Monoisotopic Mass	213.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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