CAS
917919-66-5 Purity
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917919-66-5 Purity
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(4-Bromo-phenyl)-tert-butoxycarbonylamino-acetic acid
CAS
917925-71-4
Catalog Number
ACM917925714
Category
Other Products
Molecular Weight
330.17
Molecular Formula
C13H16BrNO4
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Specification
Synonyms
(4-BROMO-PHENYL)-TERT-BUTOXYCARBONYLAMINO-ACETIC ACID
IUPAC Name
2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Canonical SMILES
CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)Br)C(=O)O
InChI Key
HFPMULXPVQWEJG-UHFFFAOYSA-N
Exact Mass
329.02600
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 22309170?
The molecular formula is C13H16BrNO4.
What are some synonyms for the compound with PubChem CID 22309170?
Some synonyms include 917925-71-4, 2-(Boc-amino)-2-(4-bromophenyl)acetic Acid, and 2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the molecular weight of the compound?
The molecular weight is 330.17 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the InChIKey of the compound?
The InChIKey is HFPMULXPVQWEJG-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.9.
What is the exact mass of the compound?
The exact mass is 329.02627 g/mol.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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