AG00D9M1

54049-24-0 | Methyl 7-bromoheptanoate

AG00D9M1

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CAS Number	54049-24-0
Catalog Number	AG00D9M1(AGN-PC-0JSSOO)
Chemical Name	Methyl 7-bromoheptanoate
IUPAC Name	methyl 7-bromoheptanoate
InChI	InChI=1S/C8H15BrO2/c1-11-8(10)6-4-2-3-5-7-9/h2-7H2,1H3
InChI Key	BXRLUWIDTDLHQE-UHFFFAOYSA-N
MDL Number	MFCD02258672
Molecular Formula	C8H15BrO2
Molecular Weight	223.1075
SMILES	COC(CCCCCCBr)=O
Synonyms	Methyl 7-bromoheptanoate, 54049-24-0, methyl-7-bromoheptanoate, 7-Bromoheptanoic acid methyl ester, Heptanoic acid, 7-bromo-, methyl ester, BXRLUWIDTDLHQE-UHFFFAOYSA-N, MFCD02258672, AK-29360, AC1LB9VP, ACMC-1AYA7, AC1Q27UX, Methyl 7-bromoheptanoate #, SCHEMBL1365242, CTK3J7982, KS-00000GMI, DTXSID00339145, ZINC2578900, ANW-50348, CM-584, FC0864, AKOS015900229, CS-W004688, GS-4223, RP27448, RTR-033107, AJ-42790, BR-29360, CJ-10177, AX8139284, ST2413489, TR-033107, 4CH-016045, FT-0647433, W6840, S-1860, 049M240, J-522575, I14-10624, 13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one, C8H15BrO2, METHYL7-BROMOHEPTANOATE, AR-1J5679, CID554086, 5416-86-4,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.026g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.11g/mol
Monoisotopic Mass	222.026g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number