AG000JOC

1228829-43-3 | Benzonitrile, 2-bromo-5-formyl-

AG000JOC

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CAS Number	1228829-43-3
Catalog Number	AG000JOC(AGN-PC-0DAFV0)
Chemical Name	Benzonitrile, 2-bromo-5-formyl-
IUPAC Name	2-bromo-5-formylbenzonitrile
InChI	InChI=1S/C8H4BrNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H
InChI Key	ISDAIUVVUFKSKP-UHFFFAOYSA-N
MDL Number	MFCD18073530
Molecular Formula	C8H4BrNO
Molecular Weight	210.0275
SMILES	N#CC1=CC(C=O)=CC=C1Br
Synonyms	2-Bromo-5-formylbenzonitrile, 1228829-43-3, AK126034, 4-Bromo-3-cyanobenzaldehyde, 2-bromo-5-formyl benzonitrile, SCHEMBL15716172, KS-00000OND, DTXSID80733844, 2-?Bromo-?5-?formylbenzonitrile, Benzonitrile, 2-bromo-5-formyl-, ISDAIUVVUFKSKP-UHFFFAOYSA-N, 4410AA, BBL102660, MFCD18073530, STL556464, ZINC77034510, AKOS016012990, DS-5058, FCH1363027, SC-43707, AJ-122599, AX8211872, ST2404231, 4CH-004448, BB 0262031, C8H4BrNO,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.948g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.03g/mol
Monoisotopic Mass	208.948g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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