AG00IMIO

88738-86-7 | 2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester, (E)-

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CAS Number	88738-86-7
Catalog Number	AG00IMIO(AGN-PC-0OLWMZ)
Chemical Name	2-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl ester, (E)-
IUPAC Name	methyl (E)-3-[4-(bromomethyl)phenyl]prop-2-enoate
InChI	InChI=1S/C11H11BrO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-7H,8H2,1H3/b7-6+
InChI Key	ZSRCGGBALFGALF-VOTSOKGWSA-N
MDL Number	MFCD00460746
Molecular Formula	C11H11BrO2
Molecular Weight	255.1078
SMILES	O=C(OC)/C=C/C1=CC=C(CBr)C=C1
Synonyms	Methyl 3-(4-bromomethyl)cinnamate, 946-99-6, METHYL 3-(4-(BROMOMETHYL)PHENYL)ACRYLATE, (E)-methyl 3-(4-(bromomethyl)phenyl)acrylate, Methyl-T-Bromomethyl-cinnamate, methyl (2E)-3-[4-(bromomethyl)phenyl]prop-2-enoate, Methyl-3-(4-bromomethyl)cinnamate, methyl-p-bromomethyl-cinnamate, methyl 3-[4-(bromomethyl)phenyl]prop-2-enoate, 4-BROMOMETHYLCINNAMIC ACID METHYL ESTER, Methyl 3-[4-(bromomethyl)phenyl]acrylate, 88738-86-7, PubChem8191, Methyl (E)-3-[4-(bromomethyl)phenyl]prop-2-enoate, methyl-4-bromomethyl-cinnamate, SCHEMBL1125370, ZSRCGGBALFGALF-VOTSOKGWSA-N, 4-Bromomethylcinnamicacidmethylester, ZINC2583896, ZX-AT003821, BBL101052, CM-463, MFCD02684186, SBB070882, STL554846, Methyl (E)-4-(Bromomethyl)cinnamate, AKOS005255809, AC-6963, AN-9518, CS-W002968, GS-3191, OR12661, AJ-43305, AS-12808, BC003320, BC209175, BR-26461, CJ-10321, SC-47609, AB0012454, AB0068603, ST2413321, TC-308516, TL8005969, 4-{(E)-2-carbomethoxyethenyl}benzyl bromide, M2816, (E)-4-(Bromomethyl)cinnamic Acid Methyl Ester, M-1545, 3-(4-bromomethyl)phenylpropenoic acid methyl ester, 946M996, C-45632, 3-(4-Brommethyl)-phenyl-propenoic acid methyl ester, 3-(4-brommethyl)-phenyl-propenoicacid(c11h11bro2), I01-5590, Q-100897, Methyl 4-(bromomethyl)cinnamate, CID11658908, 2-Propenoicacid, 3-[4-(bromomethyl)phenyl]-, methyl ester, (E)- (9CI), 703-80-0,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	253.994g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.111g/mol
Monoisotopic Mass	253.994g/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
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
UN Code

Certificate of Analysis

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