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Home > Nitro Compounds > 67177-79-1
67177-79-1 | Benzene, (nitroethynyl)- (9CI)
CAS No: 67177-79-1 Catalog No: AG00FF11 MDL No:
Product Description
Catalog Number:
AG00FF11
Chemical Name:
Benzene, (nitroethynyl)- (9CI)
CAS Number:
67177-79-1
IUPAC Name:
2-nitroethynylbenzene
InChI:
InChI=1S/C8H5NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H
InChI Key:
PULPQOUKKDDVFR-UHFFFAOYSA-N
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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