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101394-13-2 | Carbamic acid, (2,3-dichlorophenyl)-, methyl ester (9CI)
CAS No: 101394-13-2 Catalog No: AG0004DD MDL No:
Product Description
Catalog Number:
AG0004DD
Chemical Name:
Carbamic acid, (2,3-dichlorophenyl)-, methyl ester (9CI)
CAS Number:
101394-13-2
Molecular Formula:
C8H7Cl2NO2
Molecular Weight:
220.0527
IUPAC Name:
methyl N-(2,3-dichlorophenyl)carbamate
InChI:
InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-6-4-2-3-5(9)7(6)10/h2-4H,1H3,(H,11,12)
InChI Key:
VGWCYRNUEOCZDU-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1cccc(c1Cl)Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.049g/mol
Monoisotopic Mass:
218.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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