AG001K2O

14473-91-7 | 2-Propenoic acid, 3-(3-bromophenyl)-, (2E)-

AG001K2O

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CAS Number	14473-91-7
Catalog Number	AG001K2O(AGN-PC-0O2XYJ)
Chemical Name	2-Propenoic acid, 3-(3-bromophenyl)-, (2E)-
EC Number	251-267-7
IUPAC Name	(E)-3-(3-bromophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H7BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChI Key	YEMUSDCFQUBPAL-SNAWJCMRSA-N
MDL Number	MFCD00004382
Molecular Formula	C9H7BrO2
Molecular Weight	227.0547
NSC Number	102779
SMILES	O=C(O)/C=C/C1=CC=CC(Br)=C1
Synonyms	3-bromocinnamic acid, 3-bromocinnamic acid, (E)-isomer, 3-bromocinnamic acid, monoacid, 3-bromocinnamic acid, silver (+1) salt, meta-bromocinnamic acid, 3-Bromocinnamic acid, 32862-97-8, 3-(3-Bromophenyl)acrylic acid, M-BROMOCINNAMIC ACID, 14473-91-7, trans-3-Bromocinnamic acid, Cinnamic acid, m-bromo-, (E)-3-(3-BROMOPHENYL)ACRYLIC ACID, BW A800U, 2-Propenoic acid, 3-(3-bromophenyl)-, 3-(3-Bromophenyl)-2-propenoic acid, (2E)-3-(3-bromophenyl)acrylic acid, EINECS 251-267-7, NSC 102779, BROMOCINNAMIC ACID,3-, YEMUSDCFQUBPAL-SNAWJCMRSA-N, 2-Propenoic acid, 3-(3-bromophenyl)-, (2E)-, 3-(3-bromophenyl)prop-2-enoic acid, MFCD00004382, (2E)-3-(3-bromophenyl)prop-2-enoic acid, 2-Propenoic acid,3-(3-bromophenyl)-, (2E)-, (2e)-3-(3-bromophenyl)acrylicacid, 3-Bromocinnamic acid, predominantly trans, PubChem3757, AC1LFDSG, (E)-3-(3-Bromophenyl)-2-propenoic acid, 3-Bromobenzeneacrylic acid, Trans m-bromocinnamic acid, trans 3-bromocinnamic acid, WLN: QV1U1R CE, AC1Q25KJ, 2-Propenoic acid, 3-(3-bromophenyl)-, (E)-, SCHEMBL236623, RARECHEM BK HC T307, DTXSID4067729, TIMTEC-BB SBB042541, AKOS B004044, HMS1408H05, ZINC266197, ALBB-007482, E-3-(3-bromophenyl)propenoic acid, ZX-AT019414, AKOS BBS-00006566, NSC102779, OR6579, SBB042541, STK504562, trans-3-(3-bromophenyl)acrylic acid, AKOS000263378, AS-8257, AS03177, CM13573, MP-0583, NSC-102779, QC-1348, RP17546, RTR-005659, RTR-013789, (E)-3-(3-bromo-phenyl)-acrylic acid, IDI1_007674, OTAVA-BB 7020400358, NCGC00342548-01, 3-(3-BROMO-PHENYL)-ACRYLIC ACID, AJ-18594, BC002563, BR-76850, LS-54040, S328, (E)-3-(3-bromophenyl)prop-2-enoic acid, trans-3-(3-bromophenyl)-2-propenoic acid, ST2410348, TR-005659, TR-013789, AM20040181, ST50308009, 2-Propenoic acid,3-(3-bromophenyl)-,(2E), Trans-3 -(3 -bromophenyl)-2-propenoic acid, (2E)-3-(3-Bromophenyl)-2-propenoic acid #, 3-Bromocinnamic acid, predominantly trans, 98%, AB01334636-02, AE-641/00365058, J-501888, I04-13138, F0001-0972, C9H7BrO2, C9-H7-Br-O2, Cinnamic acid, m-bromo-, (E)-, KST-1A3858, AR-1A2307, CID776461, ACN-042099, 3-Bromocinnamic acid, 99% - 25G 25g, (2E)-3-(3-chlorophenyl)prop-2-enoic acid, B1961, 33044-74-5,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	225.963g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.057g/mol
Monoisotopic Mass	225.963g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number