AG00D9V2

54590-37-3 | 1,1':3',1''-Terphenyl, 4-bromo-

AG00D9V2

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CAS Number	54590-37-3
Catalog Number	AG00D9V2(AGN-PC-001GNK)
Chemical Name	1,1':3',1''-Terphenyl, 4-bromo-
IUPAC Name	1-bromo-4-(3-phenylphenyl)benzene
InChI	InChI=1S/C18H13Br/c19-18-11-9-15(10-12-18)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-13H
InChI Key	XWHCOAVJEOENNM-UHFFFAOYSA-N
MDL Number	MFCD20486761
Molecular Formula	C18H13Br
Molecular Weight	309.1998
SMILES	BrC1=CC=C(C2=CC=CC(C3=CC=CC=C3)=C2)C=C1
Synonyms	4-Bromo-m-terphenyl, 54590-37-3, 4-Bromo-1,1':3',1''-terphenyl, 1,1':3',1''-Terphenyl, 4-bromo-, MFCD20486761, SCHEMBL1270442, CTK1E3102, DTXSID20560474, XWHCOAVJEOENNM-UHFFFAOYSA-N, ZINC86029500, 4-Bromo-1,1':3',1''-terbenzene, OR70037, AK151474, PS-11046, AJ-127896, FT-0698560, 4-Bromo-1,1':3',1''-terphenyl, 97%, J3.576.954D, 1~4~-Bromo-1~1~,2~1~:2~3~,3~1~-terphenyl, 4-Bromo-1,1 inverted exclamation marka:3 inverted exclamation marka,1 inverted exclamation marka inverted exclamation marka-terphenyl, ACN-037270, 1,1':3',1''-Terphenyl, 4-bromo-, 95% - 1G 1g,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	308.02g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	309.206g/mol
Monoisotopic Mass	308.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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