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Home > Nitro Compounds > 1172338-63-4
1172338-63-4 | N,N-dimethyl-3-nitro-4-(1H-pyrazol-1-yl)benzamide
CAS No: 1172338-63-4 Catalog No: AG00IWIZ MDL No:MFCD11501806
Product Description
Catalog Number:
AG00IWIZ
Chemical Name:
N,N-dimethyl-3-nitro-4-(1H-pyrazol-1-yl)benzamide
CAS Number:
1172338-63-4
Molecular Formula:
C12H12N4O3
Molecular Weight:
260.2487
MDL Number:
MFCD11501806
IUPAC Name:
N,N-dimethyl-3-nitro-4-pyrazol-1-ylbenzamide
InChI:
InChI=1S/C12H12N4O3/c1-14(2)12(17)9-4-5-10(11(8-9)16(18)19)15-7-3-6-13-15/h3-8H,1-2H3
InChI Key:
JCFALJQAHHXMHQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])n1cccn1)N(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.253g/mol
Monoisotopic Mass:
260.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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