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944905-78-6 | 1-(3-NITROPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBALDEHYDE
CAS No: 944905-78-6 Catalog No: AG01BO9T MDL No:MFCD10696372
Product Description
Catalog Number:
AG01BO9T
Chemical Name:
1-(3-NITROPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBALDEHYDE
CAS Number:
944905-78-6
Molecular Formula:
C9H6N4O3
Molecular Weight:
218.1689
MDL Number:
MFCD10696372
IUPAC Name:
1-(3-nitrophenyl)triazole-4-carbaldehyde
InChI:
InChI=1S/C9H6N4O3/c14-6-7-5-12(11-10-7)8-2-1-3-9(4-8)13(15)16/h1-6H
InChI Key:
WHAZRBLEEWXEQI-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.172g/mol
Monoisotopic Mass:
218.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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