AG002TGU

26496-94-6 | Benzoic acid, 4-(bromomethyl)-, ethyl ester

AG002TGU

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CAS Number	26496-94-6
Catalog Number	AG002TGU(AGN-PC-0JYIML)
Chemical Name	Benzoic acid, 4-(bromomethyl)-, ethyl ester
EC Number	607-949-5
IUPAC Name	ethyl 4-(bromomethyl)benzoate
InChI	InChI=1S/C10H11BrO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3
InChI Key	TWQLMAJROCNXEA-UHFFFAOYSA-N
MDL Number	MFCD03791307
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
SMILES	CCOC(=O)c1ccc(cc1)CBr
Synonyms	Ethyl 4-(bromomethyl)benzoate, 26496-94-6, 4-(Bromomethyl)benzoic acid ethyl ester, Ethyl 4-bromomethylbenzoate, 4-Bromomethyl-benzoic acid ethyl ester, 4-Ethoxycarbonylbenzyl bromide, Benzoic acid, 4-(bromomethyl)-, ethyl ester, MFCD03791307, zlchem 925, ACMC-1CKNV, AC1LIH7F, 4-Carboethoxy-benzylbromide, 4-Carboethoxybenzyl bromide, ethyl 4-bromomethyl-benzoate, ethyl p-(bromomethyl)benzoate, ethyl-4-(bromomethyl)benzoate, SCHEMBL245250, Ethyl (4-Bromomethyl)benzoate, ethyl (alpha-bromo-p-toluate), ethyl-4-(bromomethyl)-benzoate, Ethyl 4-(bromomethyl)-benzoate, Jsp005201, 4-(Ethoxycarbonyl)benzyl bromide, CTK4F8012, DTXSID00359262, ZLD0389, TWQLMAJROCNXEA-UHFFFAOYSA-N, ZINC559407, ACT05732, ZX-AT004787, ANW-64103, SBB063062, alpha-Bromo-4-(ethoxycarbonyl)toluene, AKOS000294915, OR30551, PS-9939, RP28561, VZ27868, AC-20572, AJ-23485, AK-50628, BC216627, BP-13476, CC-16746, SC-46007, ZB014425, Ethyl 4-(bromomethyl)benzoate, AldrichCPR, AX8000063, DB-046970, TC-152848, Benzoic acid,4-(bromomethyl)-, ethyl ester, FT-0617864, ST24033197, Z3173, A818475, C-14697, I01-0250, J-520934, C10H11BrO2, 4-Bromobenzoic Acid Ethyl Ester, CID954261, ZINC00559407,

Complexity	162
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	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H410
Packing Group	Ⅱ
Precautionary statements	P273-P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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