AG003983

99070-19-6 | methyl 3-bromo-2-phenylpropanoate

AG003983

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CAS Number	99070-19-6
Catalog Number	AG003983(AGN-PC-0WALFN)
Chemical Name	methyl 3-bromo-2-phenylpropanoate
IUPAC Name	methyl 3-bromo-2-phenylpropanoate
InChI	InChI=1S/C10H11BrO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChI Key	LJKQRNDCJLRTCJ-UHFFFAOYSA-N
MDL Number	MFCD17215983
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
SMILES	BrCC(C(=O)OC)C1=CC=CC=C1
Synonyms	Methyl 3-bromo-2-phenyl-propanoate, methyl 3-bromo-2-phenylpropanoate, 99070-19-6, SCHEMBL1957995, BBL102589, MFCD17215983, STL556392, AKOS017343512, AB0134545, CS-0060459,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.994g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.1g/mol
Monoisotopic Mass	241.994g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331-H341
Packing Group	Ⅲ
Precautionary statements	P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
UN Code	UN 2811

Certificate of Analysis

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