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902837-06-3 | 1-(3-Chloropyridin-2-yl);-1,4-diazepane
CAS No: 902837-06-3 Catalog No: AG003CWW MDL No:MFCD08060980
Product Description
Catalog Number:
AG003CWW
Chemical Name:
1-(3-Chloropyridin-2-yl);-1,4-diazepane
CAS Number:
902837-06-3
Molecular Formula:
C10H14ClN3
Molecular Weight:
211.6913
MDL Number:
MFCD08060980
IUPAC Name:
1-(3-chloropyridin-2-yl)-1,4-diazepane
InChI:
InChI=1S/C10H14ClN3/c11-9-3-1-5-13-10(9)14-7-2-4-12-6-8-14/h1,3,5,12H,2,4,6-8H2
InChI Key:
CYHSXTLNQKPUQO-UHFFFAOYSA-N
SMILES:
Clc1cccnc1N1CCNCCC1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.693g/mol
Monoisotopic Mass:
211.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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