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849021-44-9 | 1-(5-Bromopyrimidin-2-yl)-1,4-diazepane
CAS No: 849021-44-9 Catalog No: AG004Q1R MDL No:MFCD03426069
Product Description
Catalog Number:
AG004Q1R
Chemical Name:
1-(5-Bromopyrimidin-2-yl)-1,4-diazepane
CAS Number:
849021-44-9
Molecular Formula:
C9H13BrN4
Molecular Weight:
257.1303
MDL Number:
MFCD03426069
IUPAC Name:
1-(5-bromopyrimidin-2-yl)-1,4-diazepane
InChI:
InChI=1S/C9H13BrN4/c10-8-6-12-9(13-7-8)14-4-1-2-11-3-5-14/h6-7,11H,1-5H2
InChI Key:
XKAYYTATJMNDJA-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1)N1CCNCCC1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.135g/mol
Monoisotopic Mass:
256.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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