AG0033Y6

5798-75-4 | 4-Bromobenzoic Acid Ethyl Ester

AG0033Y6

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CAS Number	5798-75-4
Catalog Number	AG0033Y6(AGN-PC-0JKG9D)
Chemical Name	4-Bromobenzoic Acid Ethyl Ester
EC Number	227-347-2
IUPAC Name	ethyl 4-bromobenzoate
InChI	InChI=1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChI Key	XZIAFENWXIQIKR-UHFFFAOYSA-N
MDL Number	MFCD00016329
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
NSC Number	67387
SMILES	O=C(OCC)c1ccc(cc1)Br
UNII	58G35541Q1
Synonyms	Ethyl 4-bromobenzoate, 5798-75-4, 4-Bromobenzoic Acid Ethyl Ester, ETHYL P-BROMOBENZOATE, Benzoic acid, 4-bromo-, ethyl ester, p-(Ethoxycarbonyl)phenyl bromide, ethyl4-bromobenzoate, Ethyl-4-bromobenzoate, UNII-58G35541Q1, Benzoic acid, p-bromo-, ethyl ester, 4-bromo-benzoic acid ethyl ester, 4-Bromobenzoic acid, ethyl ester, XZIAFENWXIQIKR-UHFFFAOYSA-N, MFCD00016329, 58G35541Q1, Ethyl 4-bromobenzoate, 99%, EINECS 227-347-2, NSC 67387, ethyl-p-bromobenzoate, PubChem3946, ethyl 4-bromo-benzoate, ACMC-1AKYV, ethyl 4-bromanylbenzoate, AI3-11086, AC1L2JMT, 4-Carbethoxyphenyl bromide, AC1Q33ZK, NCIOpen2_003447, KSC493E4H, Ethyl 4-bromobenzoate, 98%, SCHEMBL274513, RARECHEM AL BI 0075, DTXSID9064005, CTK3J3243, KS-00000BEK, 4-bromo benzoic acid ethyl ester, 4-bromo-benzoic acid-ethyl ester, ZINC389743, 4-(Ethoxycarbonyl)-1-bromobenzene, ACT08397, EBD29800, NSC67387, STR02382, ANW-32850, NSC-67387, SBB065108, AKOS008948173, AS03590, CS-W007730, MCULE-5378947649, PS-3134, RTR-020197, TRA0028782, AJ-20929, AK-47339, BC002671, BC202043, BR-47339, CJ-03419, SC-05490, SY004994, ZB011845, TR-020197, AM20060679, Benzoic acid, p-bromo-, ethyl ester (8CI), FT-0617865, ST24033198, ST50307124, V1140, MFCD00016329 (98%), M-6297, A831695, I01-7001, F0001-1512, Benzoic acid, ethyl ester, C9H9BrO2, 3-Fluoro-5-hydroxypyridine, C9-H9-Br-O2, CID22043, Ethyl 4-bromobenzoate, 99% - 10G 10g, B1515, 209328-55-2,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.073g/mol
Monoisotopic Mass	227.979g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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