Home Halogens 3-chloro-4-ethynylaniline

3-chloro-4-ethynylaniline

CAS No.:
80690-65-9
Catalog Number:
AG00ID4O
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
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Product Description
Catalog Number:
AG00ID4O
Chemical Name:
3-chloro-4-ethynylaniline
CAS Number:
80690-65-9
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD11036466
IUPAC Name:
3-chloro-4-ethynylaniline
InChI:
InChI=1S/C8H6ClN/c1-2-6-3-4-7(10)5-8(6)9/h1,3-5H,10H2
InChI Key:
SPZVJMGWFQPCTP-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1Cl)N
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.019g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.593g/mol
Monoisotopic Mass:
151.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties