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882288-77-9 | 2,1,3-Benzothiadiazol-5-amine, N-(4-chlorophenyl)-4-nitro-
CAS No: 882288-77-9 Catalog No: AG004B4J MDL No:MFCD00113567
Product Description
Catalog Number:
AG004B4J
Chemical Name:
2,1,3-Benzothiadiazol-5-amine, N-(4-chlorophenyl)-4-nitro-
CAS Number:
882288-77-9
Molecular Formula:
C12H7ClN4O2S
Molecular Weight:
306.7276
MDL Number:
MFCD00113567
IUPAC Name:
N-(4-chlorophenyl)-4-nitro-2,1,3-benzothiadiazol-5-amine
InChI:
InChI=1S/C12H7ClN4O2S/c13-7-1-3-8(4-2-7)14-10-6-5-9-11(16-20-15-9)12(10)17(18)19/h1-6,14H
InChI Key:
BYIHBVAMRMBZKL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Nc1ccc2c(c1[N+](=O)[O-])nsn2
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.998g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.724g/mol
Monoisotopic Mass:
305.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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