4-chloro-2,3-dimethylaniline

CAT: 0127-OR1099728-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1099728-01Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

52827-70-0

Purity

97%

Smiles

Cc1c (ccc (Cl) c1C) N

Chemical Information

4-Chloro-2,3-dimethylbenzenamine

CAS Number	52827-70-0
PubChem CID	12206374
IUPAC Name	4-chloro-2,3-dimethylaniline
Molecular Formula	C8H10ClN
Molecular Weight	155.62
XLogP	2.6
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

CC1=C(C=CC(=C1C)Cl)N

InChI

InChI=1S/C8H10ClN/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,10H2,1-2H3

InChIKey

OHKAJFZPJNWBJK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52827-70-0

CID: 12206374

Formula: C8H10ClN

MW: 155.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.62
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	155.0501770
Monoisotopic Mass	155.0501770
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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