2,5-Dichloro-3-methylaniline

CAT: 0127-OR1040888-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1040888-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

1379291-18-5

MDL Number

MFCD20700007

Purity

98%

Smiles

CC1=C(Cl)C(N)=CC(Cl)=C1

Chemical Information

2,5-Dichloro-3-methylaniline

CAS Number	1379291-18-5
PubChem CID	20470602
IUPAC Name	2,5-dichloro-3-methylaniline
Molecular Formula	C7H7Cl2N
Molecular Weight	176.04
XLogP	2.9
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	118

SMILES

CC1=CC(=CC(=C1Cl)N)Cl

InChI

InChI=1S/C7H7Cl2N/c1-4-2-5(8)3-6(10)7(4)9/h2-3H,10H2,1H3

InChIKey

CKQPUCCNBCQWRA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1379291-18-5

CID: 20470602

Formula: C7H7Cl2N

MW: 176.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.04
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	174.9955546
Monoisotopic Mass	174.9955546
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118
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