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100282-49-3 | Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester (9CI)
CAS No: 100282-49-3 Catalog No: AG0001GY MDL No:
Product Description
Catalog Number:
AG0001GY
Chemical Name:
Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
100282-49-3
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
IUPAC Name:
tert-butyl N-(3-chloro-4-methylphenyl)carbamate
InChI:
InChI=1S/C12H16ClNO2/c1-8-5-6-9(7-10(8)13)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChI Key:
VPYCRWKAAFUDHE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(c(c1)Cl)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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