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Home > Nitro Compounds > 860786-01-2
860786-01-2 | 2-({4-[(1E)-(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)aniline
CAS No: 860786-01-2 Catalog No: AG00IWNP MDL No:MFCD04124519
Product Description
Catalog Number:
AG00IWNP
Chemical Name:
2-({4-[(1E)-(methoxyimino)methyl]-2-nitrophenyl}sulfanyl)aniline
CAS Number:
860786-01-2
Molecular Formula:
C14H13N3O3S
Molecular Weight:
303.3363
MDL Number:
MFCD04124519
IUPAC Name:
2-[4-(methoxyiminomethyl)-2-nitrophenyl]sulfanylaniline
InChI:
InChI=1S/C14H13N3O3S/c1-20-16-9-10-6-7-14(12(8-10)17(18)19)21-13-5-3-2-4-11(13)15/h2-9H,15H2,1H3
InChI Key:
CONHBNHIYPPSDW-UHFFFAOYSA-N
SMILES:
CO/N=C/c1ccc(c(c1)[N+](=O)[O-])Sc1ccccc1N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.336g/mol
Monoisotopic Mass:
303.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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