AG0033LR

40894-00-6 | 3-Bromo-2,2-dimethyl-1-propanol

AG0033LR

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CAS Number	40894-00-6
Catalog Number	AG0033LR(AGN-PC-0JMSO0)
Chemical Name	3-Bromo-2,2-dimethyl-1-propanol
IUPAC Name	3-bromo-2,2-dimethylpropan-1-ol
InChI	InChI=1S/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
InChI Key	KQOQXYPZBYTICM-UHFFFAOYSA-N
MDL Number	MFCD00004683
Molecular Formula	C5H11BrO
Molecular Weight	167.0442
NSC Number	127921
SMILES	BrCC(CO)(C)C
Synonyms	3-Bromo-2,2-dimethyl-1-propanol, 40894-00-6, 3-bromo-2,2-dimethylpropan-1-ol, KQOQXYPZBYTICM-UHFFFAOYSA-N, 1-Propanol,3-bromo-2,2-dimethyl-, NSC127921, ACMC-20an98, SCHEMBL367694, 3-bromo-2,2-dimethylpropanol, AC1L3L93, CTK4I3968, 3-bromo-2,2-dimethyl1-propanol, 3bromo-2,2-dimethyl-1-propanol, DTXSID70193897, 2,2-Dimethyl-3-bromo-1-propanol, BCP17392, ZINC1716546, 3 -bromo-2,2-dimethyl-1-propanol, 3-bromo-2,2-dimethyl-propan-1-ol, MFCD00004683, 1-Propanol, 3-bromo-2,2-dimethyl-, 3-bromanyl-2,2-dimethyl-propan-1-ol, AKOS015916373, NSC-127921, KS-0000198S, CJ-29102, 3-Bromo-2,2-dimethyl-1-propanol, 96%, TC-169811, FT-0692083, A825337, I14-49728, CID142501,

Complexity	52
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.999g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.046g/mol
Monoisotopic Mass	165.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P302+P352-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number