3-Methylbiphenyl

CAT: 0127-OR22658Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR22658Size:1 g

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CAS Number

643-93-6

Synonyms

3-Phenyltoluene

MDL Number

MFCD00008533

Purity

=95%

Smiles

Cc1cccc(c1)c2ccccc2

Chemical Information

3-Methylbiphenyl

CAS Number	643-93-6
PubChem CID	12564
IUPAC Name	1-methyl-3-phenylbenzene
Molecular Formula	C13H12
Molecular Weight	168.23
XLogP	3.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	144

SMILES

CC1=CC(=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3

InChIKey

NPDIDUXTRAITDE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 643-93-6

CID: 12564

Formula: C13H12

MW: 168.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.23
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	168.093900383
Monoisotopic Mass	168.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	144
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1037615-01	3-Bromo-4-methylbiphenyl
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OR1096929	4-Methylbiphenyl-3-ylboronic acid
OR95726-01	Bis (4-methylbiphenyl-3-yl) amine
OR1079189-01	4- (3-Buten-1-yl) -4'-methylbiphenyl
OR22452-01	4-Hydroxy-4'-methylbiphenyl
OR55088-01	2- (Dicyclohexylphosphino) -2'-methylbiphenyl
OR1097965	2-Bromo-4-methylbiphenyl
OR1095448	4-Bromo-2-methylbiphenyl
OR912900-01	4-Cyano-4'-methylbiphenyl

Catalog	Name
FM69805-01	3-Methylbiphenyl
A1378-67	4-Amino-3-methylbiphenyl
434008-01	4'-Methylbiphenyl-3-carbaldehyde
sc-266451	3-Amino-4-methylbiphenyl
427739-01	3'-Methylbiphenyl-3-carboxylic acid
T8783-01	4-Methylbiphenyl
TRC-A615010-1G	4-Amino-3-methylbiphenyl Hydrochloride
283642-01	3'-Methylbiphenyl-4-carboxylic acid
434009-01	4'-Methylbiphenyl-3-carboxylic acid
MBS6108842-01	4-Amino-3-methylbiphenyl, Hydrochloride