AG003RRF

1131615-05-8 | Methyl 3-bromo-4-cyclopropylbenzoate

AG003RRF

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CAS Number	1131615-05-8
Catalog Number	AG003RRF(AGN-PC-079S2G)
Chemical Name	Methyl 3-bromo-4-cyclopropylbenzoate
IUPAC Name	methyl 3-bromo-4-cyclopropylbenzoate
InChI	InChI=1S/C11H11BrO2/c1-14-11(13)8-4-5-9(7-2-3-7)10(12)6-8/h4-7H,2-3H2,1H3
InChI Key	GZRJNRGOVPQPIP-UHFFFAOYSA-N
MDL Number	MFCD11112993
Molecular Formula	C11H11BrO2
Molecular Weight	255.1078
SMILES	O=C(OC)C1=CC=C(C2CC2)C(Br)=C1
Synonyms	methyl 3-bromo-4-cyclopropylbenzoate, 1131615-05-8, methyl 3-bromanyl-4-cyclopropyl-benzoate, SCHEMBL15543475, CTK8E2196, DTXSID20661051, GZRJNRGOVPQPIP-UHFFFAOYSA-N, MFCD11112993, ZINC39951874, AKOS015851982, FCH1402893, KS-000002K5, AK130411, AJ-100954, AX8232187, DB-060464, TC-067212, FT-0658006, 3-bromo-4-cyclopropylbenzoic acid methyl ester, A802947, I14-5519, Methyl3-bromo-4-cyclopropylbenzoate,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.994g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.111g/mol
Monoisotopic Mass	253.994g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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