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Home > Nitro Compounds > 1135283-10-1
1135283-10-1 | Benzene, 1-ethynyl-2-methoxy-4-nitro-
CAS No: 1135283-10-1 Catalog No: AG0008W4 MDL No:MFCD11840985
Product Description
Catalog Number:
AG0008W4
Chemical Name:
Benzene, 1-ethynyl-2-methoxy-4-nitro-
CAS Number:
1135283-10-1
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD11840985
IUPAC Name:
1-ethynyl-2-methoxy-4-nitrobenzene
InChI:
InChI=1S/C9H7NO3/c1-3-7-4-5-8(10(11)12)6-9(7)13-2/h1,4-6H,2H3
InChI Key:
IYZORHPOENKIKL-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C#C)[N+](=O)[O-]
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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