AG006YHJ

135613-33-1 | 3-(2-Bromo-phenyl)-propionic acid ethyl ester

AG006YHJ

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CAS Number	135613-33-1
Catalog Number	AG006YHJ(AGN-PC-0N7I4J)
Chemical Name	3-(2-Bromo-phenyl)-propionic acid ethyl ester
IUPAC Name	ethyl 3-(2-bromophenyl)propanoate
InChI	InChI=1S/C11H13BrO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3
InChI Key	ZKICRDRBPPOQLM-UHFFFAOYSA-N
MDL Number	MFCD07772962
Molecular Formula	C11H13BrO2
Molecular Weight	257.1237
SMILES	CCOC(=O)CCC1=C(Br)C=CC=C1
Synonyms	Ethyl 3-(2-bromophenyl)propanoate, 135613-33-1, 3-(2-Bromo-phenyl)-propionic acid ethyl ester, 3-(2-Bromophenyl)propionic acid ethyl ester, MFCD07772962, Benzenepropanoic acid, 2-bromo-, ethyl ester, KSC497C5H, AMBZ0174, SCHEMBL1511313, CTK3J7153, KS-00000OMF, DTXSID10442513, ZKICRDRBPPOQLM-UHFFFAOYSA-N, Ethyl 2-bromo-3-benzenepropanoate, 6357AA, ANW-59586, ZINC39079879, 2-bromo-hydrocinnamic acid ethyl ester, AKOS015838749, AM85563, RTR-004791, AC-28026, AJ-98039, AK-47819, AN-32088, CJ-19717, DS-14530, AB0056279, AB1008648, TR-004791, 3-(2-bromophenyl)propanoic acid ethyl ester, 4CH-021640, FT-0651802, ST24046909, A25118, 613B331, I14-7147, null, C11H13BrO2, Ethyl3-(2-bromophenyl)propanoate, CID10611137,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.127g/mol
Monoisotopic Mass	256.01g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

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