Products for Research Use Only
RegisterLogin

4-Chlorobenzoic acid

CAT: 0926-FC20194-01Size: 2 KgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FC20194-01Size:2 Kg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
74-11-3
Synonyms
P-Chlorobenzoic acid;4-CBA; Mycosid
MDL Number
MFCD00002531
Smiles
C1=CC (=CC=C1C (=O) O) Cl
Molecular Formula
C7H5ClO2
Molecular Weight
156.57 g/mol
Controlled
No

Chemical Information

4-Chlorobenzoic Acid

4-chlorobenzoic acid is a monochlorobenzoic acid carrying a chloro substituent at position 4. It has a role as a bacterial xenobiotic metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 4-chlorobenzoate.

CAS Number74-11-3
PubChem CID6318
IUPAC Name4-chlorobenzoic acid
Molecular FormulaC7H5ClO2
Molecular Weight156.56
XLogP2.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity128
SMILES
C1=CC(=CC=C1C(=O)O)Cl
InChI
InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
XRHGYUZYPHTUJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorobenzoic Acid
CAS: 74-11-3
CID: 6318
Formula: C7H5ClO2
MW: 156.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.56
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass155.9978071
Monoisotopic Mass155.9978071
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FA05821-014-Amino-2-chlorobenzoic acid
VDA736314-Butoxy-2-chlorobenzoic acid
FB190824-Bromo-2-chlorobenzoic acid
FB10762-014-Bromo-3-chlorobenzoic acid
FA66495-014- (Acetylamino) -3-chlorobenzoic acid
FA64174-014-Amino-3-chlorobenzoic acid
FC20193-013-Chlorobenzoic acid
FA164888-014-Amino-2-chlorobenzoic acid - 98%
BAA51520-014-tert-Butyl-3-chlorobenzoic acid
ABC44985-014-[ (3-Bromophenyl) methoxy]-3-chlorobenzoic acid

Alternative Products

CatalogName
268347-014-Chlorobenzoic Acid
sc-5048434-Chlorobenzoic Acid-d4
103720 5004-Chlorobenzoic Acid For Synthesis
HY-41465R-014-Chlorobenzoic acid (Standard)
C7926254-Chlorobenzoic Acid α-Monoglyceride
430159-014-Amino-2-chlorobenzoic Acid
260250-013- (Aminosulfonyl) -4-chlorobenzoic acid
263061-014-Bromo-2-chlorobenzoic acid
1593692-Amino-4-chlorobenzoic Acid
00761 001004-Chlorobenzoic Acid 99% For Synthesis

Popular Products