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2840-28-0 | 3-Amino-4-chlorobenzoic acid
CAS No: 2840-28-0 Catalog No: AG003IV9 MDL No:MFCD00007671
Product Description
Catalog Number:
AG003IV9
Chemical Name:
3-Amino-4-chlorobenzoic acid
CAS Number:
2840-28-0
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD00007671
IUPAC Name:
3-amino-4-chlorobenzoic acid
InChI:
InChI=1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChI Key:
DMGFVJVLVZOSOE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)N)Cl
EC Number:
220-635-9
UNII:
3Q8R4430CF
NSC Number:
211572
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis of the 2,3,4-trisubstituted indole fragments of nosiheptide and glycothiohexide. | Organic & biomolecular chemistry 20040307 |
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