AG00127M

13667-12-4 | 1-(4-Bromophenyl)-2-phenylacetylene

AG00127M

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CAS Number	13667-12-4
Catalog Number	AG00127M(AGN-PC-0JPBNL)
Chemical Name	1-(4-Bromophenyl)-2-phenylacetylene
IUPAC Name	1-bromo-4-(2-phenylethynyl)benzene
InChI	InChI=1S/C14H9Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H
InChI Key	XLHCHVUFUPJPEO-UHFFFAOYSA-N
MDL Number	MFCD01596910
Molecular Formula	C14H9Br
Molecular Weight	257.1253
NSC Number	155340
SMILES	BrC1=CC=C(C#CC2=CC=CC=C2)C=C1
Synonyms	1-bromo-4-(phenylethynyl)benzene, 13667-12-4, 1-bromo-4-(2-phenylethynyl)benzene, 1-(4-Bromophenyl)-2-phenylacetylene, Benzene,1-bromo-4-(2-phenylethynyl)-, NSC155340, 4-bromo-diphenylacetylene, AC1L6ENL, SCHEMBL651586, (4-bromophenyl)phenylacetylene, 4-(phenylethynyl)phenylbromide, AC1Q26U4, (4-bromophenyl) phenylacetylene, [(4-Bromophenyl)ethynyl]benzene, 4-BROMO DIPHENYLACETYLENE, CTK4C0411, DTXSID60302931, 4-(phenylethynyl)-1-bromobenzene, XLHCHVUFUPJPEO-UHFFFAOYSA-N, ZINC986134, KS-000012BF, MFCD01596910, AKOS005067651, NSC-155340, Benzene, 1-bromo-4-(2-phenylethynyl)-, SC-27572, B4024, AJ-292/41219604, 13667-62-4, AR-1C1986, CID290888, 136994-90-6,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.989g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.13g/mol
Monoisotopic Mass	255.989g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

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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