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89188-10-3 | Propanoic acid, 2-(bromoimino)- (9CI)
CAS No: 89188-10-3 Catalog No: AG003VZZ MDL No:MFCD18834382
Product Description
Catalog Number:
AG003VZZ
Chemical Name:
Propanoic acid, 2-(bromoimino)- (9CI)
CAS Number:
89188-10-3
Molecular Formula:
C3H4BrNO2
Molecular Weight:
165.9734
MDL Number:
MFCD18834382
IUPAC Name:
2-bromoiminopropanoic acid
InChI:
InChI=1S/C3H4BrNO2/c1-2(5-4)3(6)7/h1H3,(H,6,7)
InChI Key:
LLBKXWLXNJQVBW-UHFFFAOYSA-N
SMILES:
CC(=NBr)C(=O)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.943g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.974g/mol
Monoisotopic Mass:
164.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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