4-Bromo-m-xylene

CAT: 0926-FB64663-01Size: 0.25 kgDry Ice: NoHazardous: No

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CAT#:0926-FB64663-01Size:0.25 kg

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CAS Number

583-70-0

MDL Number

MFCD00000071

Smiles

CC1=CC (=C (C=C1) Br) C

Molecular Formula

C8H9Br

Molecular Weight

185.06 g/mol

Controlled

Chemical Information

Benzene, 1-bromo-2,4-dimethyl-

CAS Number	583-70-0
PubChem CID	68503
IUPAC Name	1-bromo-2,4-dimethylbenzene
Molecular Formula	C8H9Br
Molecular Weight	185.06
XLogP	3.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	90

SMILES

CC1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C8H9Br/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3

InChIKey

YSFLQVNTBBUKEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 583-70-0

CID: 68503

Formula: C8H9Br

MW: 185.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.06
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	183.98876
Monoisotopic Mass	183.98876
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	90.6
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