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113711-60-7 | 3H-Diazirine, 3-chloro-3-(phenylmethoxy)-
CAS No: 113711-60-7 Catalog No: AG0009G2 MDL No:
Product Description
Catalog Number:
AG0009G2
Chemical Name:
3H-Diazirine, 3-chloro-3-(phenylmethoxy)-
CAS Number:
113711-60-7
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
IUPAC Name:
3-chloro-3-phenylmethoxydiazirine
InChI:
InChI=1S/C8H7ClN2O/c9-8(10-11-8)12-6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
BBWUNGHNDGXTFR-UHFFFAOYSA-N
SMILES:
ClC1(OCc2ccccc2)N=N1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.607g/mol
Monoisotopic Mass:
182.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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