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3-carbamimidoyl-4-chlorobenzoic acid

3-carbamimidoyl-4-chlorobenzoic acid

Formula: C8H7ClN2O2

SMILES: NC(=N)C1=C(Cl)C=CC(=C1)C(O)=O

IUPAC: 3-carbamimidoyl-4-chlorobenzoic acid

InChI: InChI=1S/C8H7ClN2O2/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3H,(H3,10,11)(H,12,13)

Composition: C (48.38%), H (3.55%), Cl (17.85%), N (14.11%), O (16.11%)

Molar Mass: 198.61

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 198.0196052
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey JTYDGQZRJLCLKA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.79
Topological Polar Surface Area 87.17
Polarizability 18.32
Ring Count 1
Rotatable Bond Count 2

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C8H7ClN2O2 $1,760.00-$3,520.00$1,760.00$2,706.00$3,520.00
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