AG00C88E

36958-61-9 | 5-(Bromomethyl)-3-methylisoxazole

AG00C88E

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CAS Number	36958-61-9
Catalog Number	AG00C88E(AGN-PC-0N7FQA)
Chemical Name	5-(Bromomethyl)-3-methylisoxazole
IUPAC Name	5-(bromomethyl)-3-methyl-1,2-oxazole
InChI	InChI=1S/C5H6BrNO/c1-4-2-5(3-6)8-7-4/h2H,3H2,1H3
InChI Key	DMUJLHLWCUMHRT-UHFFFAOYSA-N
MDL Number	MFCD09879901
Molecular Formula	C5H6BrNO
Molecular Weight	176.0112
SMILES	CC1=NOC(CBr)=C1
Synonyms	5-(Bromomethyl)-3-methylisoxazole, 36958-61-9, 5-(bromomethyl)-3-methyl-1,2-oxazole, 5-bromomethyl-3-methylisoxazole, Isoxazole, 5-(bromomethyl)-3-methyl-, SCHEMBL933778, 3-methyl-5-bromomethylisoxazole, CTK1B5984, DTXSID20442367, DMUJLHLWCUMHRT-UHFFFAOYSA-N, KS-00000D4O, ANW-54463, MFCD09879901, SBB089112, ZINC12370186, AKOS012021117, CB-3707, MCULE-3228768410, QC-4071, RP02959, AJ-61757, AK-86975, PS-10050, SY036655, AB0003848, DB-010790, TC-143208, FT-0698326, ST24044221, Y8895, MFCD09879901 (95%), 5-(Bromomethyl)-3-methylisoxazole, AldrichCPR, L-3106, J-516303, F2147-0855, I14-100911, C5H6BrNO, 5- -3-METHYLISOXAZOLE, CID10607354,

Complexity	78.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.963g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.013g/mol
Monoisotopic Mass	174.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number