AG00D8WP

53020-08-9 | Methyl 2-(bromomethyl)-3-furoate

AG00D8WP

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CAS Number	53020-08-9
Catalog Number	AG00D8WP(AGN-PC-0KK83E)
Chemical Name	Methyl 2-(bromomethyl)-3-furoate
IUPAC Name	methyl 2-(bromomethyl)furan-3-carboxylate
InChI	InChI=1S/C7H7BrO3/c1-10-7(9)5-2-3-11-6(5)4-8/h2-3H,4H2,1H3
InChI Key	SOPVGIIHUGGHGO-UHFFFAOYSA-N
MDL Number	MFCD02180747
Molecular Formula	C7H7BrO3
Molecular Weight	219.0327
SMILES	COC(=O)C1=C(CBr)OC=C1
Synonyms	Methyl 2-(Bromomethyl)-3-Furoate, 53020-08-9, methyl 2-(bromomethyl)furan-3-carboxylate, methyl 2-bromomethyl-3-furoate, 2-Bromomethyl-furan-3-carboxylic acid methyl ester, AC1MC6DD, AC1Q42ET, SCHEMBL2109561, CTK4J6906, DTXSID50371631, SOPVGIIHUGGHGO-UHFFFAOYSA-N, ZINC165944, ZX-AT003594, 2-bromomethyl-3-methoxycarbonylfurane, ANW-66457, MFCD02180747, OR8118, SBB054929, AKOS015852122, FCH1320337, ACM53020089, AC-23051, AJ-16448, AN-40849, BC005252, CJ-02301, AB1010216, AX8138024, TC-069694, FT-0628391, V6426, A25941, K-9638, Methyl 2-(bromomethyl)-3-furoate, AldrichCPR, METHYL 2-BROMOMETHYL-3-FURANCARBOXYLATE, 020M089, 2-(Bromomethyl)furan-3-carboxylic acid methyl ester, I14-1039, 3-Furancarboxylic acid,2-(bromomethyl)-, methyl ester, 3-Furancarboxylic acid, 2-(bromomethyl)-, methyl ester, 2-(BROMOMETHYL)-3-FURANCARBOXYLIC ACID METHYL ESTER, null, C7H7BrO3, ZINC00165944, ACN-039199, CID2736827, (2R)-2-((5S)-6-{5-[(10S,12R)-2-((6S,5R)-5-Ethyl-5-hydroxy-6-methylperhydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl](1S,2S,3S,5R)-2-hydroxy-1,3-dimethyl-4-oxoheptyl}-5-methylperhydro-2H-pyran-2-yl)butanoic acid,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.958g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.034g/mol
Monoisotopic Mass	217.958g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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