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25203-35-4 | Carbamic acid, (4-bromophenyl)-, propyl ester (9CI)
CAS No: 25203-35-4 Catalog No: AG002QWK MDL No:
Product Description
Catalog Number:
AG002QWK
Chemical Name:
Carbamic acid, (4-bromophenyl)-, propyl ester (9CI)
CAS Number:
25203-35-4
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
IUPAC Name:
propyl N-(4-bromophenyl)carbamate
InChI:
InChI=1S/C10H12BrNO2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChI Key:
XBPGGGVAWQWYNT-UHFFFAOYSA-N
SMILES:
CCCOC(=O)Nc1ccc(cc1)Br
Properties
Complexity:
179
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:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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