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1001611-12-6 | 1H-Pyrazole-3-methanamine, 4-chloro-1-ethyl-
CAS No: 1001611-12-6 Catalog No: AG00014Q MDL No:MFCD04967130
Product Description
Catalog Number:
AG00014Q
Chemical Name:
1H-Pyrazole-3-methanamine, 4-chloro-1-ethyl-
CAS Number:
1001611-12-6
Molecular Formula:
C6H10ClN3
Molecular Weight:
159.6167
MDL Number:
MFCD04967130
IUPAC Name:
(4-chloro-1-ethylpyrazol-3-yl)methanamine
InChI:
InChI=1S/C6H10ClN3/c1-2-10-4-5(7)6(3-8)9-10/h4H,2-3,8H2,1H3
InChI Key:
MEZJZDGZPVYJTM-UHFFFAOYSA-N
SMILES:
NCc1nn(cc1Cl)CC
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.617g/mol
Monoisotopic Mass:
159.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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