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Home > Nitro Compounds > 1004194-55-1
1004194-55-1 | 2-[(5-Methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
CAS No: 1004194-55-1 Catalog No: AG019DA5 MDL No:MFCD04969106
Product Description
Catalog Number:
AG019DA5
Chemical Name:
2-[(5-Methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
CAS Number:
1004194-55-1
MDL Number:
MFCD04969106
IUPAC Name:
2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C12H11N3O4/c1-8-6-11(15(18)19)13-14(8)7-9-4-2-3-5-10(9)12(16)17/h2-6H,7H2,1H3,(H,16,17)
InChI Key:
BIOOMQZEIOGAFN-UHFFFAOYSA-N
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.237g/mol
Monoisotopic Mass:
261.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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