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113579-09-2 | Carbamic acid, (4-bromo-2-methylphenyl)-, ethyl ester (9CI)
CAS No: 113579-09-2 Catalog No: AG000928 MDL No:MFCD08817761
Product Description
Catalog Number:
AG000928
Chemical Name:
Carbamic acid, (4-bromo-2-methylphenyl)-, ethyl ester (9CI)
CAS Number:
113579-09-2
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD08817761
IUPAC Name:
ethyl N-(4-bromo-2-methylphenyl)carbamate
InChI:
InChI=1S/C10H12BrNO2/c1-3-14-10(13)12-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,12,13)
InChI Key:
IMBCELZVGYRYHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccc(cc1C)Br
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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