3-Chloroaniline

CAT: 1299-RG-C081516-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-C081516-01Size:10 mg

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CAS Number

108-42-9

Synonyms

3-chloroaniline

Molecular Formula

C6H6ClN

Molecular Weight

127.57

Target Alternative Name

Aniline

Product Name Synonym

3-chloroaniline

Chemical Information

3-Chloroaniline

3-Chloroaniline is a substituted aniline.

CAS Number	108-42-9
PubChem CID	7932
IUPAC Name	3-chloroaniline
Molecular Formula	C6H6ClN
Molecular Weight	127.57
XLogP	1.9
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

C1=CC(=CC(=C1)Cl)N

InChI

InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

InChIKey

PNPCRKVUWYDDST-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-42-9

CID: 7932

Formula: C6H6ClN

MW: 127.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.57
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	127.0188769
Monoisotopic Mass	127.0188769
Topological Polar Surface Area	26 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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

Catalog	Name
RG-C081515-01	2-Chloroaniline
RG-D091905-01	6,6'-Disulfanediylbis (2-Chloroaniline)
RG-F122148-01	3- (3-Fluorophenyl) -3-Oxopropanenitrile
RG-A262872-01	3,3′-Biphthalide
RG-E140739-01	3,3'-Diaminodipropylamine
RG-E140863-01	3,3'-bipyridine
RG-E141213-01	3,3'-Diindolylmethane
RG-D090525-01	3,3-Diethoxypropanenitrile
RG-P022549-01	3,3'-Oxydiphenol
RG-E141560-01	3-amino-3,3-dicyanopropanoic acid

Catalog	Name
281661	3-Chloroaniline
Fr14337	3-CHLOROANILINE HYDROCHLORIDE
263869-01	2-Bromo-3-chloroaniline
430954-01	4-Bromo-3-chloroaniline
00751 02500	3-Chloroaniline 98% For Synthesis
424412-01	3-Bromo-5-chloroaniline
sc-298938	3-Bromo-4-chloroaniline
sc-255357	N-Methyl-3-chloroaniline
OR1065833-01	3- (Aminomethyl) -5-chloroaniline
OR313100-01	3-Bromo-2-chloroaniline