AG003NRX

5443-49-2 | 2-Bromo-3-phenylacrylaldehyde

AG003NRX

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CAS Number	5443-49-2
Catalog Number	AG003NRX(AGN-PC-0JKFZ5)
Chemical Name	2-Bromo-3-phenylacrylaldehyde
IUPAC Name	(Z)-2-bromo-3-phenylprop-2-enal
InChI	InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
InChI Key	WQRWNOKNRHCLHV-TWGQIWQCSA-N
MDL Number	MFCD00006965
Molecular Formula	C9H7BrO
Molecular Weight	211.0553
SMILES	C(=C(C=O)Br)c1ccccc1
Synonyms	alpha-bromocinnamaldehyde, alpha-bromocinnamic aldehyde, alpha-Bromocinnamaldehyde, 5443-49-2, 2-Bromo-3-phenylacrylaldehyde, Alphabrocine, 2-Bromo-3-phenyl-2-propenal, Bromocinnamal, alpha-Bromocinnamic aldehyde, CCRIS 3924, B 37, B 37 (VAN), 2-Propenal, 2-bromo-3-phenyl-, EINECS 226-637-6, NSC 19806, BRN 1099733, B 36, alpha-Bromocinnamaldehyde, 98%, CINNAMALDEHYDE, alpha-BROMO-, (Z)-2-bromo-3-phenylprop-2-enal, (2Z)-2-bromo-3-phenylprop-2-enal, MFCD00006965, 2-bromo-3-phenylprop-2-enal, Cinnamaldehyde, .alpha.-bromo-, 2-Propenal, 2-bromo-3-phenyl-, (Z)-, .alpha.-Bromocinnamaldehyde, .alpha.-Bromocinnamic aldehyde, 33603-90-6, (2Z)-2-Bromo-3-phenyl-2-propenal, AC1NSSVU, 2-Bromo-3-phenylpropenal, AC1Q23UW, ZINC900, SCHEMBL567062, AC1Q248J, BCA-XS-150, WQRWNOKNRHCLHV-TWGQIWQCSA-N, (Z)-2-bromo-3-phenyl-2-propenal, BBL023485, SBB040238, STL281322, AKOS000118839, AKOS025310697, FCH2251062, FCH4302055, RP17508, RTR-019246, VZ23926, (Z)-2-bromanyl-3-phenyl-prop-2-enal, (2Z)-2-Bromo-3-phenyl-2-propenal #, 2-Propenal, 2-bromo-3-phenyl- (9CI), AC-11193, AJ-07931, BBV-60751957, CC-09436, CJ-00020, LS-53820, ST2416540, TR-019246, B1253, ST50213396, EN300-19519, A-8736, A830178, C-10941, S01-0421, W-105626, InChI=1/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6, 2-Bromocinnamaldehyde, a-Bromocinnamaldehyde, C9H7BrO, C9-H7-Br-O, CID5369403, 2-07-00-00281 (Beilstein Handbook Reference), alpha-Bromocinnamaldehyde, 98% - 100G 100g,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	209.968g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.058g/mol
Monoisotopic Mass	209.968g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3335

Certificate of Analysis

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