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1314792-82-9 | Spiro[cyclobutane-1,4'(1'H)-isoquinoline], 7'-bromo-2',3'-dihydro-
CAS No: 1314792-82-9 Catalog No: AG000W9O MDL No:
Product Description
Catalog Number:
AG000W9O
Chemical Name:
Spiro[cyclobutane-1,4'(1'H)-isoquinoline], 7'-bromo-2',3'-dihydro-
CAS Number:
1314792-82-9
Molecular Formula:
C12H14BrN
Molecular Weight:
252.1503
IUPAC Name:
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
InChI:
InChI=1S/C12H14BrN/c13-10-2-3-11-9(6-10)7-14-8-12(11)4-1-5-12/h2-3,6,14H,1,4-5,7-8H2
InChI Key:
PROQQGYSPZSSHF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CNCC12CCC1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.155g/mol
Monoisotopic Mass:
251.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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