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116383-67-6 | Naphth[1,2-b]oxirene, 5-chloro-1a,6,7,7a-tetrahydro-
CAS No: 116383-67-6 Catalog No: AG000CC5 MDL No:
Product Description
Catalog Number:
AG000CC5
Chemical Name:
Naphth[1,2-b]oxirene, 5-chloro-1a,6,7,7a-tetrahydro-
CAS Number:
116383-67-6
Molecular Formula:
C10H11ClO
Molecular Weight:
182.6467
IUPAC Name:
4-chloro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
InChI:
InChI=1S/C10H9ClO/c11-8-3-1-2-7-6(8)4-5-9-10(7)12-9/h1-3,9-10H,4-5H2
InChI Key:
ZJZWKTAMXHPWGL-UHFFFAOYSA-N
SMILES:
ClC1=CC2=CCC3C(C2CC1)O3
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.631g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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