AG00150J

1214791-57-7 | 3-Bromo-2-fluorocinnamic acid

AG00150J

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CAS Number	1214791-57-7
Catalog Number	AG00150J(AGN-PC-0WA85J)
Chemical Name	3-Bromo-2-fluorocinnamic acid
IUPAC Name	(E)-3-(3-bromo-2-fluorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H6BrFO2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/b5-4+
InChI Key	RWTIAAOXVAUDCJ-SNAWJCMRSA-N
MDL Number	MFCD13185369
Molecular Formula	C9H6BrFO2
Molecular Weight	245.0451
SMILES	OC(=O)C=CC1=CC=CC(Br)=C1F
Synonyms	3-BROMO-2-FLUOROCINNAMIC ACID, 1214791-57-7, 3-(3-bromo-2-fluorophenyl)acrylic acid, MFCD13185369, ZINC75902123, AKOS015893136, AM90023, FCH1380591, FCH3288840, AS-44041, BBV-55285972, PC408230, AJ-122085, AX8231565, TC-106382, Z8343, (e)-3-(3-bromo-2-fluorophenyl)acrylic acid, A-5435, 2-Propenoic acid, 3-(3-bromo-2-fluorophenyl)-, I04-1817, C9H6BrFO2,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	243.954g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.047g/mol
Monoisotopic Mass	243.954g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P260-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number