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Home > Bromides > 1256633-39-2
1256633-39-2 | Carbamic acid, N-(3-bromo-4-fluorophenyl)-, phenylmethyl ester
CAS No: 1256633-39-2 Catalog No: AG000OB0 MDL No:MFCD18071052
Product Description
Catalog Number:
AG000OB0
Chemical Name:
Carbamic acid, N-(3-bromo-4-fluorophenyl)-, phenylmethyl ester
CAS Number:
1256633-39-2
Molecular Formula:
C14H11BrFNO2
Molecular Weight:
324.1450
MDL Number:
MFCD18071052
IUPAC Name:
benzyl N-(3-bromo-4-fluorophenyl)carbamate
InChI:
InChI=1S/C14H11BrFNO2/c15-12-8-11(6-7-13(12)16)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChI Key:
AVLKMUXJCIPDEQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)Br)F)OCc1ccccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.149g/mol
Monoisotopic Mass:
322.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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