Cas no 147494-66-4 (Benzoic acid, 2-amino-6-chloro-4-methyl-, methyl ester)
147494-66-4 structure
Product Name:Benzoic acid, 2-amino-6-chloro-4-methyl-, methyl ester
CAS No:147494-66-4
MF:C9H10ClNO2
MW:199.634201526642
CID:3772525
PubChem ID:18929874
Update Time:2025-04-22
Benzoic acid, 2-amino-6-chloro-4-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-amino-6-chloro-4-methyl-, methyl ester
- SCHEMBL8574153
- methyl 2-amino-6-chloro-4-methylbenzoate
- DTXSID901277162
- 147494-66-4
-
- Inchi： 1S/C9H10ClNO2/c1-5-3-6(10)8(7(11)4-5)9(12)13-2/h3-4H,11H2,1-2H3
- InChI Key： VHNHLONMLIJPAE-UHFFFAOYSA-N
- SMILES： ClC1=CC(C)=CC(=C1C(=O)OC)N
Computed Properties
- Exact Mass: 199.0400063g/mol
- Monoisotopic Mass: 199.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 52.3?2
Benzoic acid, 2-amino-6-chloro-4-methyl-, methyl ester Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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