Home Other Building Blocks 3-Chloroaniline

3-Chloroaniline

CAS No.:
108-42-9
Catalog Number:
AG0033O7
Molecular Formula:
C6H6ClN
Molecular Weight:
127.5715
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$25
- +
25g
98%(GC)
In Stock USA
United States
$57
- +
100g
98%(GC)
In Stock USA
United States
$94
- +
500g
98%(GC)
In Stock USA
United States
$223
- +
Product Description
Catalog Number:
AG0033O7
Chemical Name:
3-Chloroaniline
CAS Number:
108-42-9
Molecular Formula:
C6H6ClN
Molecular Weight:
127.5715
MDL Number:
MFCD00007765
IUPAC Name:
3-chloroaniline
InChI:
InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChI Key:
PNPCRKVUWYDDST-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cl
EC Number:
203-581-0
UNII:
6GKR52SKIY
NSC Number:
17581
RTECS Number:
BX0350000
UN Number:
2019
Properties
Complexity:
74.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.019g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
127.571g/mol
Monoisotopic Mass:
127.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
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