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7474-79-5 | N-[5-(METHYLIDENEAMINO)-2-NITRO-PHENYL]METHANIMINE
CAS No: 7474-79-5 Catalog No: AG005HN8 MDL No:
Product Description
Catalog Number:
AG005HN8
Chemical Name:
N-[5-(METHYLIDENEAMINO)-2-NITRO-PHENYL]METHANIMINE
CAS Number:
7474-79-5
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
N-[3-(methylideneamino)-4-nitrophenyl]methanimine
InChI:
InChI=1S/C8H7N3O2/c1-9-6-3-4-8(11(12)13)7(5-6)10-2/h3-5H,1-2H2
InChI Key:
ZKDWWPRNULCLMF-UHFFFAOYSA-N
SMILES:
C=Nc1cc(N=C)ccc1[N+](=O)[O-]
NSC Number:
401089
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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