MMG-0358

CAT: 0607-BA7828-50Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA7828-50Size:50 mg

Selected

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

Quick Request Actions

CAS Number

1378976-02-3

Molecular Formula

C8H6ClN3O

Molecular Weight

195.61

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

4-chloro-2-(1H-1,2,3-triazol-4-yl)phenol

CAS Number	1378976-02-3
PubChem CID	135981331
IUPAC Name	4-chloro-2-(2H-triazol-4-yl)phenol
Molecular Formula	C8H6ClN3O
Molecular Weight	195.60
XLogP	1.5
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	181

SMILES

C1=CC(=C(C=C1Cl)C2=NNN=C2)O

InChI

InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)

InChIKey

NBDFMTBYKCBTSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1378976-02-3

CID: 135981331

Formula: C8H6ClN3O

MW: 195.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.60
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	195.0199395
Monoisotopic Mass	195.0199395
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	181
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