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1015241-96-9 | 1H-Azepine, 1-(5-bromo-2-pyrimidinyl)hexahydro-
CAS No: 1015241-96-9 Catalog No: AG0004PH MDL No:MFCD18903003
Product Description
Catalog Number:
AG0004PH
Chemical Name:
1H-Azepine, 1-(5-bromo-2-pyrimidinyl)hexahydro-
CAS Number:
1015241-96-9
Molecular Formula:
C10H14BrN3
Molecular Weight:
256.1423
MDL Number:
MFCD18903003
IUPAC Name:
1-(5-bromopyrimidin-2-yl)azepane
InChI:
InChI=1S/C10H14BrN3/c11-9-7-12-10(13-8-9)14-5-3-1-2-4-6-14/h7-8H,1-6H2
InChI Key:
RUWWHHDYNMJYIQ-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1)N1CCCCCC1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.147g/mol
Monoisotopic Mass:
255.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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