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Home > Nitro Compounds > 851182-29-1
851182-29-1 | Benzenemethanol, 2-nitro-a-(phenylethynyl)-
CAS No: 851182-29-1 Catalog No: AG00G9UU MDL No:
Product Description
Catalog Number:
AG00G9UU
Chemical Name:
Benzenemethanol, 2-nitro-a-(phenylethynyl)-
CAS Number:
851182-29-1
IUPAC Name:
1-(2-nitrophenyl)-3-phenylprop-2-yn-1-ol
InChI:
InChI=1S/C15H11NO3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-9,15,17H
InChI Key:
KCDOYZHHWBPJBE-UHFFFAOYSA-N
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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