Home Halogens (1-(4-chlorophenyl)-1H-pyrazol-4-yl)methanamine

(1-(4-chlorophenyl)-1H-pyrazol-4-yl)methanamine

CAS No.:
400877-37-4
Catalog Number:
AG00D7G1
Molecular Formula:
C10H10ClN3
Molecular Weight:
207.6595
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Product Description
Catalog Number:
AG00D7G1
Chemical Name:
(1-(4-chlorophenyl)-1H-pyrazol-4-yl)methanamine
CAS Number:
400877-37-4
Molecular Formula:
C10H10ClN3
Molecular Weight:
207.6595
MDL Number:
MFCD09941234
IUPAC Name:
[1-(4-chlorophenyl)pyrazol-4-yl]methanamine
InChI:
InChI=1S/C10H10ClN3/c11-9-1-3-10(4-2-9)14-7-8(5-12)6-13-14/h1-4,6-7H,5,12H2
InChI Key:
VXQNZOAYORCEEM-UHFFFAOYSA-N
SMILES:
NCc1cnn(c1)c1ccc(cc1)Cl
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.661g/mol
Monoisotopic Mass:
207.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties