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methyl 2-amino-4-nitrobenzoate

methyl 2-amino-4-nitrobenzoate

CAS: 3558-19-8

Formula: C8H8N2O4

SMILES: COC(=O)C1=C(N)C=C(C=C1)[N+]([O-])=O

IUPAC: methyl 2-amino-4-nitrobenzoate

InChI: InChI=1S/C8H8N2O4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,9H2,1H3

Composition: C (48.98%), H (4.11%), N (14.28%), O (32.62%)

Molar Mass: 196.162

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.048406746
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VGURYVWLCVIMTF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.1
Topological Polar Surface Area 95.46
Polarizability 17.87
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 3558-19-8 $115.00-$575.00$115.00$345.00$575.00
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