AG007NI8

24398-88-7 | Ethyl 3-bromobenzoate

AG007NI8

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CAS Number	24398-88-7
Catalog Number	AG007NI8(AGN-PC-0JLYON)
Chemical Name	Ethyl 3-bromobenzoate
EC Number	246-223-9
IUPAC Name	ethyl 3-bromobenzoate
InChI	InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChI Key	QAUASTLEZAPQTB-UHFFFAOYSA-N
MDL Number	MFCD00013529
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	O=C(OCC)C1=CC=CC(Br)=C1
Synonyms	Ethyl 3-bromobenzoate, 24398-88-7, Ethyl3-Bromobenzoate, 3-Bromobenzoic Acid Ethyl Ester, ethyl-3-bromobenzoate, Benzoic acid, 3-bromo-, ethyl ester, Benzoic acid, m-bromo-, ethyl ester, MFCD00013529, M-BROMOBENZOIC ACID ETHYL ESTER, Ethyl 3-bromobenzoate, 98%, QAUASTLEZAPQTB-UHFFFAOYSA-N, M-BROMO BENZOIC ACID ETHYL ESTER, m-Bromobenzoic acid, ethyl ester, EINECS 246-223-9, PubChem3941, ACMC-209gbv, AC1L3K3F, SCHEMBL245137, 3-(Ethoxycarbonyl)bromobenzene, AC1Q347W, Jsp004881, RARECHEM AL BI 0052, 3-(Ethoxycarbonyl)phenyl bromide, CTK1A7414, QAUASTLEZAPQTB-UHFFFAOYSA-, 3-Bromobenzoic acid, ethyl ester, DTXSID40179143, ZINC389583, ACT08394, STR07102, ANW-25433, AKOS000266440, AS03589, MCULE-2300136761, QC-7388, RP27803, VZ36221, AJ-20848, BC002670, SC-47037, SY009069, ZB011769, AB0019753, DB-002717, RT-004608, A5029, FT-0615204, FT-0625756, FT-0626020, ST24030558, ST50307042, V0235, KS-00001609, MFCD00013529 (97%), I01-7332, W-107320, InChI=1/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3, C9H9BrO2, C9-H9-Br-O2, CID90488, B1808, Ethyl 3-bromobenzoate, 98% - 100G 100g,

Complexity	159
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	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number