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120100-15-4 | Benzoic acid, 3-amino-2-chloro-, methyl ester
CAS No: 120100-15-4 Catalog No: AG000QBK MDL No:MFCD16036890
Product Description
Catalog Number:
AG000QBK
Chemical Name:
Benzoic acid, 3-amino-2-chloro-, methyl ester
CAS Number:
120100-15-4
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD16036890
IUPAC Name:
methyl 3-amino-2-chlorobenzoate
InChI:
InChI=1S/C8H8ClNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3
InChI Key:
NKBQKMXNIWIFAE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1Cl)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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