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70239-81-5 | 4-ETHYNYL-2-NITRO-PHENOL
CAS No: 70239-81-5 Catalog No: AG00FE5S MDL No:
Product Description
Catalog Number:
AG00FE5S
Chemical Name:
4-ETHYNYL-2-NITRO-PHENOL
CAS Number:
70239-81-5
IUPAC Name:
4-ethynyl-2-nitrophenol
InChI:
InChI=1S/C8H5NO3/c1-2-6-3-4-8(10)7(5-6)9(11)12/h1,3-5,10H
InChI Key:
NGFZLEANFAKXEA-UHFFFAOYSA-N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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